Summary

Molecular formula: C28H40O3
SMILES: CC([C@H](/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@@]1([C@]3(C2=CC(=O)C(=C3C=CC1)O)O)C)C)C)C
InChI: InChI=1S/C28H40O3/c1-17(2)18(3)9-10-19(4)20-11-12-21-23-16-24(29)25(30)22-8-7-13-26(5,28(22,23)31)14-15-27(20,21)6/h7-10,16-21,30-31H,11-15H2,1-6H3/b10-9+/t18-,19+,20+,21-,26+,27+,28-/m0/s1
InChIKey: PZBNMAFUFCEVHI-USNDCAFGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CCC3CCC4CCCC4C(=C1)C23

Scaffold Graph/Node level:
OC1CC2CCCC3CCC4CCCC4C(C1)C32

Scaffold Graph level:
CC1CC2CCCC3CCC4CCCC4C(C1)C32

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Chemical classification

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

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Synonymous chemical names:
ganotheaecolin a

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External chemical identifiers:
CID_132504919; NPATLAS_NPA023815; CHEMSPIDER_58827003

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Chemical structure download