Summary

Molecular formula: C34H50O7
SMILES: OC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC(=O)C(=C)C(C(=O)O)C)C)C)C
InChI: InChI=1S/C34H50O7/c1-19(17-25(35)20(2)21(3)30(39)40)22-11-15-34(8)24-9-10-26-31(4,5)27(41-29(38)18-28(36)37)13-14-32(26,6)23(24)12-16-33(22,34)7/h19,21-22,26-27H,2,9-18H2,1,3-8H3,(H,36,37)(H,39,40)/t19-,21?,22-,26+,27-,32-,33-,34+/m1/s1
InChIKey: LJDYIANNVNRBHB-DAACNWGDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
3a -carboxyacetoxy-24-methylene-23-oxolanost-8-en-26-oic acid (carboxyacetylquercinic acidderivative 01), 3α-carboxyacetoxy-24-methylene-23-oxolanost-8-en-26-oic acid

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External chemical identifiers:
NPATLAS_NPA018642

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Chemical structure download