Summary

Molecular formula: C32H44O9
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)OC(=O)C)C
InChI: InChI=1S/C32H44O9/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/h10,16,19-21,27,33,35H,8-9,11-15H2,1-7H3,(H,39,40)/b17-10+/t16-,19-,20+,21-,27+,29+,30+,31+,32+/m1/s1
InChIKey: HOPDNBIFYDWRMF-YULVEHMRSA-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 d

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External chemical identifiers:
CID_122182454; NPATLAS_NPA009070; CHEMSPIDER_59003730; ZINC_ZINC000473088041

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Chemical structure download