Summary

Molecular formula: C27H36O6
SMILES: OC[C@@H](C1=C2[C@H]3C[C@H](O)C(=C[C@@H]([C@]3(C)CC[C@]2(CC1)CO)O)COC(=O)c1ccccc1)C
InChI: InChI=1S/C27H36O6/c1-17(14-28)20-8-9-27(16-29)11-10-26(2)21(24(20)27)13-22(30)19(12-23(26)31)15-33-25(32)18-6-4-3-5-7-18/h3-7,12,17,21-23,28-31H,8-11,13-16H2,1-2H3/t17-,21+,22-,23-,26+,27+/m0/s1
InChIKey: VNIWCINJZQJXFB-GIXUWZPISA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCC1=CCC2CCC3CCC=C3C2CC1)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CCC2CCC3CCCC3C2CC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC2CCC3CCCC3C2CC1)C1CCCCC1

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Chemical classification

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

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Synonymous chemical names:
scabronine g-methyl-ester, scabronine l

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External chemical identifiers:
CID_56666430; NPATLAS_NPA009632; CHEMSPIDER_26632094; ZINC_ZINC000072109983

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Chemical structure download