Summary

Molecular formula: C30H40O8
SMILES: O=C(CC(C(=O)O)C)C[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)CC(=O)[C@]13[C@]2(O1)C(=O)CC1[C@]3(C)CCC(=O)C1(C)C)C)C
InChI: InChI=1S/C30H40O8/c1-15(10-17(31)11-16(2)24(36)37)18-12-21(33)28(7)27(18,6)14-23(35)29-26(5)9-8-20(32)25(3,4)19(26)13-22(34)30(28,29)38-29/h15-16,18-19H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19?,26+,27-,28-,29+,30+/m1/s1
InChIKey: GJGDBUUEFAXVPD-JRGKKCILSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(C1)CC(=O)C13OC21C(=O)CC1CCC(=O)C13

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C13OC21C(O)CC1CCC(O)C13

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C13CC21C(C)CC1CCC(C)C13

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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:
8 a ,9 a -epoxy-3,7,11,15,23-pentaoxo-5 a -lanosta-26-oic acid

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Chemical structure download