NP-MRD: Showing NP-Card for 1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate (NP0328183)

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Record Information

Version

2.0

Created at

2022-09-12 11:25:36 UTC

Updated at

2022-09-12 11:25:36 UTC

NP-MRD ID

NP0328183

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate

Description

4',5',7'-Tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-1,2,3a,4,5,5a,8,9,9a,9b-decahydro-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]Dodecane]-1-yl acetate belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. 1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate is found in Ruptiliocarpon caracolito. Based on a literature review very few articles have been published on 4',5',7'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-1,2,3a,4,5,5a,8,9,9a,9b-decahydro-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]Dodecane]-1-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122213252D          

 53 58  0  0  0  0            999 V2000
    7.4962   -0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8943   -0.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1047   -0.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5027   -0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6903    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7132   -0.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9007    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1112    0.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    0.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197    0.5689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1341   -0.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758   -1.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856   -2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838   -2.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3572   -3.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -4.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -3.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670   -2.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7563   -1.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6721   -2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -2.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -1.9129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896   -3.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -0.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -0.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176   -0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    1.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229    1.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    2.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277    2.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1269    1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3534   -0.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -0.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583    0.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256   -1.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1276   -1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9172   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5192   -2.0125    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  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
 16 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 35 46  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 43 48  1  0  0  0  0
 48 49  2  0  0  0  0
 12 50  1  0  0  0  0
  6 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
  3 52  1  0  0  0  0
 52 53  2  0  0  0  0
M  END

     RDKit          3D

107112  0  0  0  0  0  0  0  0999 V2000
    8.1310    1.4208    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2390    0.3487    0.2201 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8507    0.6122    0.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0385    0.1139    1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6384   -0.7568    2.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5890    0.4064    1.0772 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4556    1.6557    1.9877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9493   -0.7281    1.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -0.9526    1.6164 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9171   -0.6317    2.8752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9437   -0.2102    0.4719 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9874   -0.3299   -0.6035 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7056   -1.6032   -0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749    0.0109   -1.8346 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5726   -0.8320   -2.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268   -0.4069   -4.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197   -1.3207   -5.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910    0.8421   -4.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1812   -0.0933   -1.5573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8539   -0.9674   -2.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4220   -0.3535   -0.0651 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2038   -1.5733    0.1404 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6631   -2.9231   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2784   -1.4632   -0.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0257   -1.6378    1.4175 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8061   -2.8443    1.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7978   -3.8804    2.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395   -5.0816    1.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -3.8162    3.1605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1018   -0.5529    1.4551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9151   -0.8407    0.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1881   -1.3758    0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9491   -1.6374   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6444   -1.6167    1.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3358    0.7220    1.3645 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8420    1.0189    2.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3515    1.8240    1.1538 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2112    1.7130    0.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6114    1.8565    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5138    1.7327   -0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0670    2.0980    1.3234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6188    3.1976    1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7305    3.1044   -0.0963 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1844    4.4051   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6289    2.1093    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3576    0.8208    0.2977 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1978    0.9952   -0.8746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299    2.3300   -1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1244    2.7829   -2.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0650    0.7195   -0.2506 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9598    1.0210   -1.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2834    1.4568   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8909    2.4717   -1.2550 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2345   -0.5228    3.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801   -1.8348    1.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7441   -0.5538    2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7252    2.3320    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    1.3670    2.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4303    2.1555    2.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   -1.6826    1.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175   -0.5112    2.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3512   -2.0582    1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550    0.3262    3.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9787    0.8756    0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -2.4525   -0.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8348   -1.4997   -0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5632   -2.0231   -1.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6210    1.0319   -2.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385   -1.4636   -5.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633   -2.2545   -5.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -0.8207   -6.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676    0.9298   -1.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2723   -0.7714   -3.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7790   -2.0379   -2.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678   -0.5940   -2.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768   -3.4517    0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599   -3.6187   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2011   -3.1293   -0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813   -2.3652   -0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4903   -1.7760    2.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3152   -5.9138    2.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4726   -5.3567    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0344   -1.4299   -0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5982   -1.0524   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8435   -2.7143   -1.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6875    1.4550    3.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0049    1.6876    2.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721    0.0232    3.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9642    1.9628    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2695    0.9540   -0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9263    1.3156   -1.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9974    2.6957   -1.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1927    4.2163   -1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0814    5.1452    0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811    2.4514    1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332    2.2216   -0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    1.6431   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    1.8835   -1.9726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0888    0.2090   -2.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  1  1
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  8  9  1  0
  9 10  1  0
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 11 12  1  0
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 12 14  1  0
 14 15  1  0
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 43 42  1  0
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 39 40  1  0
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 30 25  1  0
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 27 28  1  0
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 25 22  1  0
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 22 24  1  6
 43 48  1  0
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 45103  1  0
 45104  1  0
 44100  1  0
 44101  1  0
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 37 94  1  1
 40 95  1  0
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 30 87  1  1
 33 88  1  0
 33 89  1  0
 33 90  1  0
 25 83  1  1
 28 84  1  0
 28 85  1  0
 28 86  1  0
 23 79  1  0
 23 80  1  0
 23 81  1  0
 24 82  1  0
 50105  1  1
 51106  1  0
 51107  1  0
M  END


  Mrv1652309122213252D          

 53 58  0  0  0  0            999 V2000
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    4.7132   -0.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6721   -2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3198   -2.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -1.9129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -2.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2246   -3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896   -3.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8644   -0.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -0.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488   -0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -1.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -0.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176   -0.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7345    0.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947    0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    1.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3229    1.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4655    2.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277    2.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9417    1.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1269    1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3534   -0.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -0.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    0.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2583    0.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256   -1.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1276   -1.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9172   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5192   -2.0125    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  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
 16 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 35 46  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 43 48  1  0  0  0  0
 48 49  2  0  0  0  0
 12 50  1  0  0  0  0
  6 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
  3 52  1  0  0  0  0
 52 53  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0328183

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C2(C)CC(O)C3C(C)(C(OC(C)=O)C(C)C33C45CC(C)(CC(OC(C)=O)C4(C)C(OC(C)=O)C(OC(C)=O)C3(C)O)C(=O)O5)C2CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C39H54O14/c1-17-27(48-12)23(44)13-25-34(17,8)14-24(45)28-35(25,9)29(50-20(4)41)18(2)39(28)37(11,47)31(52-22(6)43)30(51-21(5)42)36(10)26(49-19(3)40)15-33(7)16-38(36,39)53-32(33)46/h18,24-26,28-31,45,47H,13-16H2,1-12H3

> <INCHI_KEY>
FPNWWBRAZDSCBV-UHFFFAOYSA-N

> <FORMULA>
C39H54O14

> <MOLECULAR_WEIGHT>
746.847

> <EXACT_MASS>
746.351356419

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
77.20303580877732

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-1,2,3a,4,5,5a,8,9,9a,9b-decahydro-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0^{1,6}]dodecane]-7'-yl acetate

> <JCHEM_LOGP>
1.0893076166666655

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.892478504608352

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.407593596792275

> <JCHEM_PKA_STRONGEST_BASIC>
-2.855177022700924

> <JCHEM_POLAR_SURFACE_AREA>
198.25999999999996

> <JCHEM_REFRACTIVITY>
182.72770000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1H-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0^{1,6}]dodecane]-7'-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      13.993  -1.810   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      12.869  -0.757   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      11.395  -1.204   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.272  -0.151   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.622   1.349   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.798  -0.598   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.148   0.902   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.674   0.456   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.200   0.009   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.077   1.062   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.850  -1.491   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.974  -2.544   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.982  -3.709   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.320  -3.938   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.063  -5.287   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.267  -6.605   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.010  -7.954   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.727  -6.574   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.792  -3.747   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.739  -4.870   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.502  -2.234   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.278  -3.198   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.121  -4.730   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.464  -4.504   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.843  -2.617   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.634  -3.571   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       0.855  -5.095   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.286  -5.665   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -0.354  -6.048   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.614  -1.088   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.181  -0.524   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.025  -1.483   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.797  -3.006   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -2.457  -0.918   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.833  -0.120   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.371   0.364   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.417   1.448   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       0.945   1.902   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.603   3.403   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -0.869   3.857   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       1.732   4.451   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       3.624   2.492   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.160   1.976   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       5.837   3.359   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.701   0.671   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.393  -0.646   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       6.064  -0.489   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       6.505   1.082   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       7.949   1.618   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       8.448  -2.097   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       9.572  -3.150   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      11.045  -2.704   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      12.169  -3.757   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   52                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8   50                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   21                                                  
CONECT   12   11   13   14   50                                             
CONECT   13   12                                                            
CONECT   14   12   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   11   22   46                                             
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   30   36   37   46                                             
CONECT   36   35                                                            
CONECT   37   35   38   42                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   37   43                                                       
CONECT   43   42   44   45   48                                             
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45   35   21   47                                             
CONECT   47   46   48                                                       
CONECT   48   47   43   49                                                  
CONECT   49   48                                                            
CONECT   50   12    6   51                                                  
CONECT   51   50   52                                                       
CONECT   52   51    3   53                                                  
CONECT   53   52                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  116    0
END

View in JSmol

Synonyms

Value	Source
4',5',7'-Tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-1,2,3a,4,5,5a,8,9,9a,9b-decahydro-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0,]dodecane]-1-yl acetic acid	Generator

Chemical Formula

C₃₉H₅₄O₁₄

Average Mass

746.8470 Da

Monoisotopic Mass

746.35136 Da

IUPAC Name

1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-1,2,3a,4,5,5a,8,9,9a,9b-decahydro-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0^{1,6}]dodecane]-7'-yl acetate

Traditional Name

1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1H-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0^{1,6}]dodecane]-7'-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=C(C)C2(C)CC(O)C3C(C)(C(OC(C)=O)C(C)C33C45CC(C)(CC(OC(C)=O)C4(C)C(OC(C)=O)C(OC(C)=O)C3(C)O)C(=O)O5)C2CC1=O

InChI Identifier

InChI=1S/C39H54O14/c1-17-27(48-12)23(44)13-25-34(17,8)14-24(45)28-35(25,9)29(50-20(4)41)18(2)39(28)37(11,47)31(52-22(6)43)30(51-21(5)42)36(10)26(49-19(3)40)15-33(7)16-38(36,39)53-32(33)46/h18,24-26,28-31,45,47H,13-16H2,1-12H3

InChI Key

FPNWWBRAZDSCBV-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ruptiliocarpon caracolito	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Pentacarboxylic acid or derivatives
Caprolactone
Cyclohexenone
Oxepane
Gamma butyrolactone
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Cyclic ketone
Secondary alcohol
Carboxylic acid ester
Lactone
Ketone
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Alcohol
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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
logP	1.09	ChemAxon
pKa (Strongest Acidic)	13.41	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	198.26 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	182.73 m³·mol⁻¹	ChemAxon
Polarizability	77.2 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

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

75239141

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate (NP0328183)

MOL for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

3D MOL for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

3D SDF for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

3D-SDF for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

PDB for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

3D PDB for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

SMILES for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

INCHI for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

Structure for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)

3D Structure for NP0328183 (1,4',5'-tris(acetyloxy)-3',4-dihydroxy-7-methoxy-2,3',5a,6,6',9',9b-heptamethyl-8,10'-dioxo-2,3a,4,5,9,9a-hexahydro-1h-11'-oxaspiro[cyclopenta[a]naphthalene-3,2'-tricyclo[7.2.1.0¹,⁶]dodecan]-7'-yl acetate)