NP-MRD: Showing NP-Card for (+)-Cedrol (NP0030847)

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Record Information

Version

2.0

Created at

2021-06-19 22:05:42 UTC

Updated at

2021-08-20 00:00:21 UTC

NP-MRD ID

NP0030847

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Cedrol

Provided By

JEOL Database JEOL Logo

Description

Cedorol, also known as alpha-cedrol or α-cedrol, belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Thus, cedorol is considered to be an isoprenoid. (+)-Cedrol is found in Abies nephrolepis, Achillea abrotanoides, Acorus calamus, Aloysia citrodora, Angelica archangelica, Artemisia annua, Basella alba, Carapichea ipecacuanha, Chamaecyparis obtusa, Clinopodium gilliesii, Croton megalocarpus, Cryptomeria japonica, Cunninghamia lanceolata, Diplotaenia cachrydifolia, Dysoxylum spectabile, Helichrysum odoratissimum, Juniperus barbadensis, Juniperus chinensis, Juniperus communis, Juniperus excelsa, Juniperus foetidissima, Juniperus formosana, Juniperus horizontalis, Juniperus monticola, Juniperus occidentalis, Juniperus phoenicea, Juniperus procera, Juniperus rigida, Juniperus standleyi, Juniperus thurifera, Ligusticum sinense, Mappianthus iodoides, Micromeria cristata, Mosla chinensis, Platycladus orientalis, Pulicaria arabica, Salvia sclarea, Sieruela hirta, Teucrium asiaticum, Thuja occidentalis, Thuja standishii, Thujopsis dolabrata, Thymus vulgaris, Tritomaria quinquedentata, Widdringtonia whytei and Xylopia aromatica. (+)-Cedrol was first documented in 2003 (Brown, G. D., et al.). Based on a literature review very few articles have been published on Cedorol.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202100053D          

 42 44  0  0  0  0            999 V2000
    1.1156    0.6380    3.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    0.3526    1.8482 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1478    1.6123    1.1577 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2202    1.1951   -0.3060 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8826    0.4851   -0.5197 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7628   -0.6169   -1.6189 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1271   -1.0683   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -0.0973   -2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -1.8225   -0.8360 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8194   -1.7011    0.5246 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5822   -0.2190    0.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9057   -0.0457    1.2295 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8721   -0.4908    0.1223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4311   -1.7749   -0.6068 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9248   -3.0088    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -1.8276   -1.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.0022    3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.2712    3.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    1.4027    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.3516    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    2.4556    1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.9105    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    2.0529   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.5348   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    1.2719   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.4602   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373   -0.2412   -2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.8650   -2.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    0.3390   -2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.8981   -3.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    0.6935   -3.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.7678   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.3659    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   -1.9359    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    1.0024    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -0.6287    2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874    0.3272   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -0.6136    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -3.0080    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -3.9321   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -3.0631    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -2.6233   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  5 11  1  0  0  0  0
 11 10  1  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  6  0  0  0
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  2  1  1  0  0  0  0
 11  2  1  0  0  0  0
  5 25  1  6  0  0  0
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  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 21  1  0  0  0  0
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  9 32  1  6  0  0  0
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  7 26  1  0  0  0  0
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  1 19  1  0  0  0  0
  8 29  1  0  0  0  0
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 15 39  1  0  0  0  0
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 16 42  1  0  0  0  0
M  END

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.1156    0.6380    3.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    0.3526    1.8482 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1478    1.6123    1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    1.1951   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    0.4851   -0.5197 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7628   -0.6169   -1.6189 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1271   -1.0683   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -0.0973   -2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -1.8225   -0.8360 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8194   -1.7011    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822   -0.2190    0.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9057   -0.0457    1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721   -0.4908    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -1.7749   -0.6068 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9248   -3.0088    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -1.8276   -1.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.0022    3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.2712    3.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    1.4027    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.3516    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    2.4556    1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.9105    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    2.0529   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.5348   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    1.2719   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.4602   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373   -0.2412   -2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.8650   -2.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    0.3390   -2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.8981   -3.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    0.6935   -3.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.7678   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.3659    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   -1.9359    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    1.0024    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -0.6287    2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874    0.3272   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -0.6136    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -3.0080    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -3.9321   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -3.0631    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -2.6233   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  6  9  1  0
  9 14  1  0
  5 11  1  0
 11 10  1  0
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  6  7  1  6
 11 12  1  1
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 11  2  1  0
  5 25  1  6
  5  6  1  0
  6  8  1  0
  2  3  1  0
 14 15  1  0
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 12 13  1  0
 14 16  1  6
  3 21  1  0
  3 22  1  0
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  2 20  1  1
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  7 26  1  0
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  1 17  1  0
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 15 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
M  END


  Mrv1652306202100053D          

 42 44  0  0  0  0            999 V2000
    1.1156    0.6380    3.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    0.3526    1.8482 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1478    1.6123    1.1577 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2202    1.1951   -0.3060 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8826    0.4851   -0.5197 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7628   -0.6169   -1.6189 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1271   -1.0683   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -0.0973   -2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -1.8225   -0.8360 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8194   -1.7011    0.5246 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5822   -0.2190    0.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9057   -0.0457    1.2295 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8721   -0.4908    0.1223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4311   -1.7749   -0.6068 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9248   -3.0088    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -1.8276   -1.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.0022    3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.2712    3.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    1.4027    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.3516    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    2.4556    1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.9105    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    2.0529   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.5348   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    1.2719   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.4602   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373   -0.2412   -2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.8650   -2.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    0.3390   -2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.8981   -3.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    0.6935   -3.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.7678   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.3659    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   -1.9359    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    1.0024    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -0.6287    2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874    0.3272   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -0.6136    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -3.0080    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -3.9321   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -3.0631    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -2.6233   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  6  9  1  0  0  0  0
  9 14  1  0  0  0  0
  5 11  1  0  0  0  0
 11 10  1  0  0  0  0
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  4  5  1  0  0  0  0
  6  7  1  6  0  0  0
 11 12  1  1  0  0  0
  2  1  1  0  0  0  0
 11  2  1  0  0  0  0
  5 25  1  6  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
 14 15  1  0  0  0  0
 13 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  6  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  2 20  1  1  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
  9 32  1  6  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0030847

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23C([H])([H])[C@]1([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1

> <INCHI_KEY>
SVURIXNDRWRAFU-OGMFBOKVSA-N

> <FORMULA>
C15H26O

> <MOLECULAR_WEIGHT>
222.372

> <EXACT_MASS>
222.198365457

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
26.875570169045986

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecan-8-ol

> <ALOGPS_LOGP>
3.53

> <JCHEM_LOGP>
3.191530442666666

> <ALOGPS_LOGS>
-4.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5155835212848653

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
66.5265

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.80e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecan-8-ol

> <JCHEM_VEBER_RULE>
1

$$$$

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.1156    0.6380    3.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    0.3526    1.8482 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1478    1.6123    1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    1.1951   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    0.4851   -0.5197 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7628   -0.6169   -1.6189 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1271   -1.0683   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -0.0973   -2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -1.8225   -0.8360 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8194   -1.7011    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822   -0.2190    0.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9057   -0.0457    1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721   -0.4908    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -1.7749   -0.6068 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9248   -3.0088    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -1.8276   -1.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.0022    3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.2712    3.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    1.4027    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.3516    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    2.4556    1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.9105    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    2.0529   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.5348   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    1.2719   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.4602   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373   -0.2412   -2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.8650   -2.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    0.3390   -2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.8981   -3.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    0.6935   -3.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.7678   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.3659    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   -1.9359    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    1.0024    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -0.6287    2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874    0.3272   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -0.6136    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -3.0080    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -3.9321   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -3.0631    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -2.6233   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  6  9  1  0
  9 14  1  0
  5 11  1  0
 11 10  1  0
  9 10  1  0
  4  5  1  0
  6  7  1  6
 11 12  1  1
  2  1  1  0
 11  2  1  0
  5 25  1  6
  5  6  1  0
  6  8  1  0
  2  3  1  0
 14 15  1  0
 13 14  1  0
 12 13  1  0
 14 16  1  6
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  2 20  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
  9 32  1  6
 10 33  1  0
 10 34  1  0
  7 26  1  0
  7 27  1  0
  7 28  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  8 29  1  0
  8 30  1  0
  8 31  1  0
 15 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       1.116   0.638   3.258  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.613   0.353   1.848  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.148   1.612   1.158  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.220   1.195  -0.306  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.883   0.485  -0.520  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.763  -0.617  -1.619  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.127  -1.068  -2.197  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.039  -0.097  -2.823  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.113  -1.823  -0.836  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.819  -1.701   0.525  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.582  -0.219   0.842  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.906  -0.046   1.230  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.872  -0.491   0.122  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.431  -1.775  -0.607  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.925  -3.009   0.171  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.113  -1.828  -1.864  0.00  0.00           O+0
HETATM   17  H   UNK     0       1.938   1.002   3.884  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.722  -0.271   3.723  0.00  0.00           H+0
HETATM   19  H   UNK     0       0.333   1.403   3.272  0.00  0.00           H+0
HETATM   20  H   UNK     0       2.451  -0.352   1.942  0.00  0.00           H+0
HETATM   21  H   UNK     0       1.457   2.456   1.281  0.00  0.00           H+0
HETATM   22  H   UNK     0       3.127   1.911   1.546  0.00  0.00           H+0
HETATM   23  H   UNK     0       2.340   2.053  -0.974  0.00  0.00           H+0
HETATM   24  H   UNK     0       3.082   0.535  -0.441  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.135   1.272  -0.690  0.00  0.00           H+0
HETATM   26  H   UNK     0       2.808  -1.460  -1.437  0.00  0.00           H+0
HETATM   27  H   UNK     0       2.637  -0.241  -2.704  0.00  0.00           H+0
HETATM   28  H   UNK     0       1.986  -1.865  -2.937  0.00  0.00           H+0
HETATM   29  H   UNK     0      -1.000   0.339  -2.542  0.00  0.00           H+0
HETATM   30  H   UNK     0      -0.228  -0.898  -3.547  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.515   0.694  -3.344  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.369  -2.768  -1.331  0.00  0.00           H+0
HETATM   33  H   UNK     0       0.429  -2.366   1.299  0.00  0.00           H+0
HETATM   34  H   UNK     0       1.886  -1.936   0.436  0.00  0.00           H+0
HETATM   35  H   UNK     0      -1.120   1.002   1.471  0.00  0.00           H+0
HETATM   36  H   UNK     0      -1.120  -0.629   2.134  0.00  0.00           H+0
HETATM   37  H   UNK     0      -1.987   0.327  -0.598  0.00  0.00           H+0
HETATM   38  H   UNK     0      -2.879  -0.614   0.543  0.00  0.00           H+0
HETATM   39  H   UNK     0      -1.613  -3.008   1.219  0.00  0.00           H+0
HETATM   40  H   UNK     0      -1.565  -3.932  -0.297  0.00  0.00           H+0
HETATM   41  H   UNK     0      -3.020  -3.063   0.151  0.00  0.00           H+0
HETATM   42  H   UNK     0      -1.811  -2.623  -2.334  0.00  0.00           H+0
CONECT    1    2   17   18   19                                             
CONECT    2    1   11    3   20                                             
CONECT    3    4    2   21   22                                             
CONECT    4    3    5   23   24                                             
CONECT    5   11    4   25    6                                             
CONECT    6    9    7    5    8                                             
CONECT    7    6   26   27   28                                             
CONECT    8    6   29   30   31                                             
CONECT    9    6   14   10   32                                             
CONECT   10   11    9   33   34                                             
CONECT   11    5   10   12    2                                             
CONECT   12   11   13   35   36                                             
CONECT   13   14   12   37   38                                             
CONECT   14    9   15   13   16                                             
CONECT   15   14   39   40   41                                             
CONECT   16   14   42                                                       
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19    1                                                            
CONECT   20    2                                                            
CONECT   21    3                                                            
CONECT   22    3                                                            
CONECT   23    4                                                            
CONECT   24    4                                                            
CONECT   25    5                                                            
CONECT   26    7                                                            
CONECT   27    7                                                            
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30    8                                                            
CONECT   31    8                                                            
CONECT   32    9                                                            
CONECT   33   10                                                            
CONECT   34   10                                                            
CONECT   35   12                                                            
CONECT   36   12                                                            
CONECT   37   13                                                            
CONECT   38   13                                                            
CONECT   39   15                                                            
CONECT   40   15                                                            
CONECT   41   15                                                            
CONECT   42   16                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

RDKit          3D

42 44  0  0  0  0  0  0  0  0999 V2000
    1.1156    0.6380    3.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    0.3526    1.8482 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1478    1.6123    1.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    1.1951   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8826    0.4851   -0.5197 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7628   -0.6169   -1.6189 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1271   -1.0683   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0389   -0.0973   -2.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129   -1.8225   -0.8360 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8194   -1.7011    0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822   -0.2190    0.8423 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9057   -0.0457    1.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721   -0.4908    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -1.7749   -0.6068 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9248   -3.0088    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128   -1.8276   -1.8636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9376    1.0022    3.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7217   -0.2712    3.7232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329    1.4027    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513   -0.3516    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    2.4556    1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1266    1.9105    1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3402    2.0529   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.5348   -0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1347    1.2719   -0.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -1.4602   -1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373   -0.2412   -2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -1.8650   -2.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    0.3390   -2.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276   -0.8981   -3.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5147    0.6935   -3.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3689   -2.7678   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -2.3659    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   -1.9359    0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1197    1.0024    1.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201   -0.6287    2.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9874    0.3272   -0.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8788   -0.6136    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6133   -3.0080    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5651   -3.9321   -0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0201   -3.0631    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -2.6233   -2.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  6  9  1  0
  9 14  1  0
  5 11  1  0
 11 10  1  0
  9 10  1  0
  4  5  1  0
  6  7  1  6
 11 12  1  1
  2  1  1  0
 11  2  1  0
  5 25  1  6
  5  6  1  0
  6  8  1  0
  2  3  1  0
 14 15  1  0
 13 14  1  0
 12 13  1  0
 14 16  1  6
  3 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  2 20  1  1
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
  9 32  1  6
 10 33  1  0
 10 34  1  0
  7 26  1  0
  7 27  1  0
  7 28  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  8 29  1  0
  8 30  1  0
  8 31  1  0
 15 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
M  END

View in JSmol

Synonyms

Value	Source
(+)-Cedrol	ChEBI
8BetaH-cedran-8-ol	ChEBI
[3R-(3alpha,3Abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol	ChEBI
alpha-Cedrol	ChEBI
Cedrol	Kegg
[3R-(3a,3Abeta,6a,7b,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol	Generator
[3R-(3Α,3abeta,6α,7β,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-ol	Generator
a-Cedrol	Generator
Α-cedrol	Generator
8-Epicedrol	MeSH
8βH-Cedran-8-ol	PhytoBank

Chemical Formula

C₁₅H₂₆O

Average Mass

222.3720 Da

Monoisotopic Mass

222.19837 Da

IUPAC Name

(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecan-8-ol

Traditional Name

(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecan-8-ol

CAS Registry Number

Not Available

SMILES

[H]O[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]23C([H])([H])[C@]1([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[H]

InChI Identifier

InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1

InChI Key

SVURIXNDRWRAFU-OGMFBOKVSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies nephrolepis	LOTUS Database	35616633
Achillea abrotanoides	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Acorus calanus L.	KNApSAcK Database	22123792
Aloysia citrodora	LOTUS Database	35616633
Angelica archangelica	LOTUS Database	35616633
Artemisia annua	JEOL database	Brown, G. D., et al, Phytochemistry 64, 303 (2003)
Artemisia annua L.cultivar Jwarharti	KNApSAcK Database	22123792
Basella alba	LOTUS Database	35616633
Cephaelis ipecacuanha	LOTUS Database	35616633
Chamaecyparis formosensis	KNApSAcK Database	22123792
Chamaecyparis obtusa	LOTUS Database	35616633
Chamomilla recutina	KNApSAcK Database	22123792
Clinopodium gilliesii	LOTUS Database	35616633
Croton megalocarpus	LOTUS Database	35616633
Cryptomeria japonica	LOTUS Database	35616633
Cunninghamia lanceolata	LOTUS Database	35616633
Cupressus sempervirens	KNApSAcK Database	22123792
Dacrydium elatum	KNApSAcK Database	22123792
Diplotaenia cachrydifolia	LOTUS Database	35616633
Dysoxylum spectabile	LOTUS Database	35616633
Helichrysum odoratissimum	LOTUS Database	35616633
Juniperus barbadensis var. lucayana	LOTUS Database	35616633
Juniperus chinensis	LOTUS Database	35616633
Juniperus communis	LOTUS Database	35616633
Juniperus excelsa	LOTUS Database	35616633
Juniperus foetidissima	LOTUS Database	35616633
Juniperus formosana	LOTUS Database	35616633
Juniperus horizontalis	LOTUS Database	35616633
Juniperus lucayana	KNApSAcK Database	22123792
Juniperus monticola	LOTUS Database	35616633
Juniperus occidentalis HOOK.	LOTUS Database	35616633
Juniperus phoenicea	LOTUS Database	35616633
Juniperus procera	LOTUS Database	35616633
Juniperus rigida	LOTUS Database	35616633
Juniperus standleyi	LOTUS Database	35616633
Juniperus thurifera	LOTUS Database	35616633
Juniperus virginiana	KNApSAcK Database	22123792
Lepidozia fauriana	KNApSAcK Database	22123792
Ligusticum sinense	LOTUS Database	35616633
Mappianthus iodoides	LOTUS Database	35616633
Micromeria cristata	LOTUS Database	35616633
Mosla chinensis	LOTUS Database	35616633
Platycladus orientalis	LOTUS Database	35616633
Pulicaria arabica	LOTUS Database	35616633
Salvia sclarea	LOTUS Database	35616633
Santalum album	KNApSAcK Database	22123792
Sieruela hirta	LOTUS Database	35616633
Taiwania cryptomerioides	KNApSAcK Database	22123792
Tetraclinis articulata	KNApSAcK Database	22123792
Teucrium asiaticum	LOTUS Database	35616633
Thuja occidentalis	LOTUS Database	35616633
Thuja orientalis	KNApSAcK Database	22123792
Thuja standishii	LOTUS Database	35616633
Thujopsis dolabrata	LOTUS Database	35616633
Thymus vulgaris	LOTUS Database	35616633
Trilophozia quinquedentata	LOTUS Database	35616633
Widdringtonia whytei	LOTUS Database	35616633
Xylopia aromatica	LOTUS Database	35616633

Species Where Detected

Species Name	Source	Reference
Ganoderma lucidum	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Cedrane and isocedrane sesquiterpenoids

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	77.00 to 86.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	285.00 to 287.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	21.88 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	4.330	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	3.53	ALOGPS
logP	3.19	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Basic)	-0.52	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	66.53 m³·mol⁻¹	ChemAxon
Polarizability	26.88 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

10217

Good Scents ID

rw1003031

References

General References

Brown, G. D., et al. (2003). Brown, G. D., et al, Phytochemistry 64, 303 (2003). Phytochem..

Showing NP-Card for (+)-Cedrol (NP0030847)

MOL for NP0030847 ((+)-Cedrol)

3D MOL for NP0030847 ((+)-Cedrol)

3D SDF for NP0030847 ((+)-Cedrol)

3D-SDF for NP0030847 ((+)-Cedrol)

PDB for NP0030847 ((+)-Cedrol)

3D PDB for NP0030847 ((+)-Cedrol)

SMILES for NP0030847 ((+)-Cedrol)

INCHI for NP0030847 ((+)-Cedrol)

Structure for NP0030847 ((+)-Cedrol)

3D Structure for NP0030847 ((+)-Cedrol)