Summary

Molecular formula: C30H42O7
SMILES: OC(CC(C(=O)O)C)/C=C([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)CC2[C@]1(C)CCC(=O)C2(C)C)C)/C
InChI: InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16-19,21,31-32H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-/t16?,17?,18-,19+,21?,28+,29-,30+/m1/s1
InChIKey: GYRZOSZQWPIJBT-YSYLLHFHSA-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:
7b,23n-dihydroxy-3,11,15-trioxolanosta-8,20e(22)-dien-26-oic acid

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Chemical structure download