Summary

Molecular formula: C34H50O7
SMILES: OC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2C[C@H]2O[C@]3(OC(=O)[C@H]([C@@H]3C)C)C[C@H]([C@@H]3[C@@]2([C@@]1(C)CC3)C)C)C
InChI: InChI=1S/C34H50O7/c1-18-17-34(20(3)19(2)29(38)41-34)40-26-15-23-22(32(7)14-11-21(18)33(26,32)8)9-10-24-30(4,5)25(12-13-31(23,24)6)39-28(37)16-27(35)36/h18-21,24-26H,9-17H2,1-8H3,(H,35,36)/t18-,19+,20+,21-,24+,25-,26-,31-,32+,33+,34+/m1/s1
InChIKey: CBRBLDIHLMPBCF-HIOCDSKKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCC3CCC4C5=C(CC(O2)C34)C2CCCCC2CC5)O1

Scaffold Graph/Node level:
OC1CCC2(CCC3CCC4C5CCC6CCCCC6C5CC(O2)C34)O1

Scaffold Graph level:
CC1CCC2(CCC3CCC4C5CCC6CCCCC6C5CC(C2)C34)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroid lactones

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Synonymous chemical names:
fomitopsin e

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External chemical identifiers:
CID_132508660; CHEMSPIDER_78439384

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Chemical structure download