NP-MRD: Showing NP-Card for (2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol (NP0286313)

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Record Information

Version

2.0

Created at

2022-09-09 14:50:05 UTC

Updated at

2022-09-09 14:50:05 UTC

NP-MRD ID

NP0286313

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol

Description

Lycopanerol d belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. Thus, lycopanerol D is considered to be an isoprenoid. Based on a literature review very few articles have been published on Lycopanerol d.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309092216502D          

 85 86  0  0  1  0            999 V2000
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M  END


  Mrv1652309092216502D          

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    0.2822   -0.2368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2481    0.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.0935    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8125    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8091    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236   -0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9525   -0.0935    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9525   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6670    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3815   -0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0959    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104   -0.0935    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8104   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5249    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2393   -0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9538    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6683   -0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3828    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6683   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249   -0.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 38 20  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  6  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  6  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 41 61  1  0  0  0  0
 38 61  1  0  0  0  0
 62 17  1  6  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  1  0  0  0
 65 67  1  0  0  0  0
 67 68  1  1  0  0  0
 67 69  1  6  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72 73  1  1  0  0  0
 72 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  1  0  0  0
 77 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 82 84  1  0  0  0  0
 67 85  1  0  0  0  0
 62 85  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286313

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)(O)[C@H]1CC[C@@H](O1)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]1CC[C@@H](O)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O1

> <INCHI_IDENTIFIER>
InChI=1S/C80H158O5/c1-61(2)33-21-37-65(9)41-25-45-69(13)49-29-57-77(17,82)74-55-56-75(83-74)79(19,59-31-51-71(15)47-27-43-67(11)39-23-35-63(5)6)85-80(20,60-32-52-72(16)48-28-44-68(12)40-24-36-64(7)8)76-54-53-73(81)78(18,84-76)58-30-50-70(14)46-26-42-66(10)38-22-34-62(3)4/h61-76,81-82H,21-60H2,1-20H3/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77?,78+,79?,80?/m1/s1

> <INCHI_KEY>
YDIKFVRVEKXATB-GCQXIEMNSA-N

> <FORMULA>
C80H158O5

> <MOLECULAR_WEIGHT>
1200.139

> <EXACT_MASS>
1199.210928188

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
243

> <JCHEM_AVERAGE_POLARIZABILITY>
161.66235880402525

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,6S)-6-[(6R,10R)-2-{[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol

> <JCHEM_LOGP>
27.585004375666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.329257487127546

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.725211122820788

> <JCHEM_PKA_STRONGEST_BASIC>
-3.211435829371255

> <JCHEM_POLAR_SURFACE_AREA>
68.15

> <JCHEM_REFRACTIVITY>
372.7980999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,6S)-6-[(6R,10R)-2-{[(6R,10R)-2-[(2R,5R)-5-[(6R,10R)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxan-3-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      14.963 -15.251   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.696 -13.734   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.876 -12.745   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.249 -13.208   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.981 -11.691   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.534 -11.164   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.267  -9.648   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.447  -8.658   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.820  -9.121   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.552  -7.605   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.105  -7.078   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.838  -5.561   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.017  -4.571   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.391  -5.035   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.123  -3.518   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.676  -2.991   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.496  -3.981   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.317  -4.971   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.486  -5.161   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.960  -6.608   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.407  -7.135   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.512  -6.081   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.333  -7.071   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.114  -6.544   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.294  -7.534   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.027  -9.051   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.741  -7.008   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.921  -7.997   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.368  -7.471   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.548  -8.461   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -6.280  -9.977   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.995  -7.934   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -9.175  -8.924   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -10.622  -8.397   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -11.801  -9.387   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -11.534 -10.904   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -13.249  -8.860   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.433  -8.055   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       4.294  -9.332   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       3.346 -10.545   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.899 -10.019   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.622 -10.880   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       1.483 -12.156   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -0.239  -9.603   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -0.655 -11.741   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -0.547 -13.277   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -1.824 -14.138   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -1.717 -15.675   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -0.332 -16.350   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -2.993 -16.536   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -2.886 -18.072   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -4.163 -18.933   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -4.055 -20.469   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      -2.671 -21.144   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -5.332 -21.331   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -5.224 -22.867   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -6.501 -23.728   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -6.394 -25.264   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      -7.670 -26.125   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -5.010 -25.939   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       1.953  -8.480   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0       2.506  -2.801   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       0.990  -3.069   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       0.000  -1.889   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       0.527  -0.442   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0      -0.463   0.738   0.000  0.00  0.00           O+0
HETATM   67  C   UNK     0       2.043  -0.175   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0       1.517   1.273   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0       3.377   0.595   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0       4.711  -0.175   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0       6.044   0.595   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       7.378  -0.175   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       7.378  -1.715   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0       8.712   0.595   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      10.045  -0.175   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      11.379   0.595   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      12.713  -0.175   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      12.713  -1.715   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      14.046   0.595   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      15.380  -0.175   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      16.714   0.595   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      18.047  -0.175   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      19.381   0.595   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      18.047  -1.715   0.000  0.00  0.00           C+0
HETATM   85  O   UNK     0       3.033  -1.354   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   62                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22   38                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   20   39   61                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   61                                                  
CONECT   42   41   43   44   45                                             
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   42   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58                                                            
CONECT   61   41   38                                                       
CONECT   62   17   63   85                                                  
CONECT   63   62   64                                                       
CONECT   64   63   65                                                       
CONECT   65   64   66   67                                                  
CONECT   66   65                                                            
CONECT   67   65   68   69   85                                             
CONECT   68   67                                                            
CONECT   69   67   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72   75                                                       
CONECT   75   74   76                                                       
CONECT   76   75   77                                                       
CONECT   77   76   78   79                                                  
CONECT   78   77                                                            
CONECT   79   77   80                                                       
CONECT   80   79   81                                                       
CONECT   81   80   82                                                       
CONECT   82   81   83   84                                                  
CONECT   83   82                                                            
CONECT   84   82                                                            
CONECT   85   67   62                                                       
MASTER        0    0    0    0    0    0    0    0   85    0  172    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₈₀H₁₅₈O₅

Average Mass

1200.1390 Da

Monoisotopic Mass

1199.21093 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)(O)[C@H]1CC[C@@H](O1)C(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]1CC[C@@H](O)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O1

InChI Identifier

InChI=1S/C80H158O5/c1-61(2)33-21-37-65(9)41-25-45-69(13)49-29-57-77(17,82)74-55-56-75(83-74)79(19,59-31-51-71(15)47-27-43-67(11)39-23-35-63(5)6)85-80(20,60-32-52-72(16)48-28-44-68(12)40-24-36-64(7)8)76-54-53-73(81)78(18,84-76)58-30-50-70(14)46-26-42-66(10)38-22-34-62(3)4/h61-76,81-82H,21-60H2,1-20H3/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76+,77?,78+,79?,80?/m1/s1

InChI Key

YDIKFVRVEKXATB-GCQXIEMNSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquaterpenoids

Direct Parent

Sesquaterpenoids

Alternative Parents

Substituents

Sesquaterpenoid
Oxane
Tertiary alcohol
Oxolane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00037452

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101057038

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol (NP0286313)

MOL for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

3D MOL for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

3D SDF for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

3D-SDF for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

PDB for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

3D PDB for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

SMILES for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

INCHI for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

Structure for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)

3D Structure for NP0286313 ((2s,3r,6s)-6-[(6r,10r)-2-{[(6r,10r)-2-[(2r,5r)-5-[(6r,10r)-2-hydroxy-6,10,14-trimethylpentadecan-2-yl]oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl]oxy}-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]oxan-3-ol)