Summary

Molecular formula: C29H40O7
SMILES: CCC(=O)CC[C@]1(C)OC[C@]23[C@@H]1CC[C@@]3(C)C1=C(C(=O)C2)[C@@](C)(CCC(=O)O)[C@@H](CC1=O)[C@@]1(C)CO1
InChI: InChI=1S/C29H40O7/c1-6-17(30)7-12-27(4)20-8-11-26(3)24-18(31)13-21(28(5)15-35-28)25(2,10-9-22(33)34)23(24)19(32)14-29(20,26)16-36-27/h20-21H,6-16H2,1-5H3,(H,33,34)/t20-,21-,25+,26+,27+,28-,29+/m1/s1
InChIKey: OHYSEUXBUNIBRZ-NWKABCBKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC23COCC2CCC3C2=C1CC(C1CO1)CC2=O

Scaffold Graph/Node level:
OC1CC23COCC2CCC3C2C(O)CC(C3CO3)CC12

Scaffold Graph level:
CC1CC23CCCC2CCC3C2C(C)CC(C3CC3)CC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Fatty Acyls
Sub class: Fatty acids and conjugates

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Synonymous chemical names:
ganoboninone e

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External chemical identifiers:
CID_122370818; NPATLAS_NPA011601; CHEMSPIDER_78437646

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Chemical structure download