Summary

Molecular formula: C32H42O9
SMILES: OC[C@]1(C)C(=O)CC[C@]2([C@H]1CC(=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)OC(=O)C)C
InChI: InChI=1S/C32H42O9/c1-16(9-8-10-17(2)28(39)40)19-13-23(37)32(7)24-20(35)14-21-29(4,12-11-22(36)30(21,5)15-33)25(24)26(38)27(31(19,32)6)41-18(3)34/h10,16,19,21,27,33H,8-9,11-15H2,1-7H3,(H,39,40)/b17-10+/t16-,19-,21-,27+,29+,30+,31+,32+/m1/s1
InChIKey: JBNSWBQCNNDILB-QFNXXQKWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1C(=O)CCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3C(O)CCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3C(C)CCC3CC(C)C21

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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 f

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External chemical identifiers:
CID_122182456; NPATLAS_NPA018895; CHEMSPIDER_59002627; ZINC_ZINC000473088661

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Chemical structure download