Summary

Molecular formula: C30H44O6
SMILES: O=C(C[C@@]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CCC1=C2C=C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)(O)C)CC(C(=O)O)C
InChI: InChI=1S/C30H44O6/c1-17(25(34)35)14-18(31)15-30(7,36)24-21(32)16-29(6)20-8-9-22-26(2,3)23(33)11-12-27(22,4)19(20)10-13-28(24,29)5/h8-9,17,21-22,24,32,36H,10-16H2,1-7H3,(H,34,35)/t17?,21-,22+,24+,27-,28-,29+,30+/m1/s1
InChIKey: PRYPCEYWKJRREZ-OXHRYDBKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C=CC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)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:
16α,20-dihydroxy-3,23-dioxo-5α-lanosta-6,8-dien-26-oic acid

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Chemical structure download