Summary

Molecular formula: C27H40O6
SMILES: OC(=O)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@H]([C@]1(C)CCC(=O)O)C(=C)C)C)C
InChI: InChI=1S/C27H40O6/c1-15(2)18-13-19(28)24-23(25(18,4)11-10-22(32)33)20(29)14-27(6)17(9-12-26(24,27)5)16(3)7-8-21(30)31/h16-19,28H,1,7-14H2,2-6H3,(H,30,31)(H,32,33)/t16-,17-,18+,19+,25+,26+,27-/m1/s1
InChIKey: YXVYBSGFMJBSQD-YDTNFRICSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=C1CCCC2

Scaffold Graph/Node level:
OC1CC2CCCC2C2CCCCC12

Scaffold Graph level:
CC1CC2CCCC2C2CCCCC12

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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:
fornicatin b

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External chemical identifiers:
CID_11213342; NPATLAS_NPA015995; CHEMSPIDER_9388404; ZINC_ZINC000034209030

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Chemical structure download