Summary

Molecular formula: C30H44O7
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)CC[C@@H]2[C@@H](CC/C=C(/C(=O)O)C)C)C)O)C
InChI: InChI=1S/C30H44O7/c1-16(8-7-9-17(2)26(36)37)18-10-13-29(5)22-19(32)14-20-27(3,12-11-21(33)28(20,4)15-31)23(22)24(34)25(35)30(18,29)6/h9,16,18-20,25,31-32,35H,7-8,10-15H2,1-6H3,(H,36,37)/b17-9+/t16-,18-,19+,20-,25+,27+,28+,29+,30+/m1/s1
InChIKey: KZSJJLYAVJDVEZ-BHEBFUJYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(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 b

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External chemical identifiers:
CID_122182452; NPATLAS_NPA011895; CHEMSPIDER_59003596; ZINC_ZINC000473089353

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Chemical structure download