Summary

Molecular formula: C32H44O9
SMILES: O=C(CC(C1=CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)CC(C(=O)O)C
InChI: InChI=1S/C32H44O9/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/h13,15-16,20-22,27,35-36H,9-12,14H2,1-8H3,(H,39,40)/t15?,16?,20-,21-,22-,27+,30-,31-,32-/m0/s1
InChIKey: RCSUYODNPCNTDX-SHFWFXOMSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2C=CC(=O)C2C2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CCC3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CCC3C12

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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-3b,7b-dihydroxy-11,15,23-trioxo-lanost-8,16-dien-26-oic acid

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Chemical structure download