Summary

Molecular formula: C31H48O6
SMILES: CO[C@@H]1C[C@]2(C)[C@H](CC[C@]2(C2=C1[C@@]1(C)[C@H](O)C[C@@H]([C@]([C@@H]1CC2=O)(C)C(=O)O)O)C)[C@@H](CCC=C(C)C)C
InChI: InChI=1S/C31H48O6/c1-17(2)10-9-11-18(3)19-12-13-28(4)25-20(32)14-22-30(6,26(25)21(37-8)16-29(19,28)5)23(33)15-24(34)31(22,7)27(35)36/h10,18-19,21-24,33-34H,9,11-16H2,1-8H3,(H,35,36)/t18-,19-,21-,22-,23-,24+,28+,29-,30-,31-/m1/s1
InChIKey: IDJOIVLQLLXEIY-LNCPFJTHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
fomitellic acid c

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External chemical identifiers:
CID_44566513; NPATLAS_NPA015970; CHEMSPIDER_10229296; ZINC_ZINC000042876472

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Chemical structure download