Summary

Molecular formula: C30H42O8
SMILES: OC[C@]1(C)C(=O)CC[C@]2([C@H]1C[C@H](O)C1=C2C(=O)[C@@H]([C@]2([C@@]1(C)C(=O)C[C@@H]2[C@@H](CC/C=C(/C(=O)O)C)C)C)O)C
InChI: InChI=1S/C30H42O8/c1-15(8-7-9-16(2)26(37)38)17-12-21(34)30(6)22-18(32)13-19-27(3,11-10-20(33)28(19,4)14-31)23(22)24(35)25(36)29(17,30)5/h9,15,17-19,25,31-32,36H,7-8,10-14H2,1-6H3,(H,37,38)/b16-9+/t15-,17-,18+,19-,25+,27+,28+,29+,30+/m1/s1
InChIKey: ASVBQOYWONHOKP-XQJOPQQLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1C(=O)CCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4C(O)CCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4C(C)CCC4CC(C)C23)C1

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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:
ganoleuconin e

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External chemical identifiers:
CID_122182455; NPATLAS_NPA006955; CHEMSPIDER_59000154; ZINC_ZINC000473086097

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Chemical structure download