Summary

Molecular formula: C32H42O9
SMILES: CC(=O)O[C@@H]1C(=O)C2=C([C@]3([C@@]1(C)[C@H](CC3=O)C(=CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]1[C@]2(C)CCC(=O)C1(C)C
InChI: InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h11,16,19-21,27,35H,9-10,12-14H2,1-8H3,(H,39,40)/t16?,19-,20+,21+,27-,30+,31+,32+/m1/s1
InChIKey: DKZXEHHGZYVJLI-UTDLKPAVSA-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:
12b-acetoxy-7b-hydroxy-3,11,15,23-tetraoxo-5 a -lanosta-8,20-dien-26-oic acid

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Chemical structure download