Summary

Molecular formula: C30H50O3
SMILES: OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@@]1(C)CC[C@]1([C@@]2(C)CC[C@@H]1[C@@H](CC/C=C(/C(=O)O)C)C)C
InChI: InChI=1S/C30H50O3/c1-20(2)23-13-14-26-28(5,25(23)12-9-19-31)17-18-29(6)24(15-16-30(26,29)7)21(3)10-8-11-22(4)27(32)33/h11,21,24-26,31H,8-10,12-19H2,1-7H3,(H,32,33)/b22-11+/t21-,24-,25-,26-,28+,29-,30+/m1/s1
InChIKey: CZJIGFJHVBSALM-CWZIPENLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C(CCC3CCCC32)C1

Scaffold Graph/Node level:
CC1CCC2C(CCC3CCCC32)C1

Scaffold Graph level:
CC1CCC2C(CCC3CCCC32)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:
3,4-secocucurbita-4,24e-diene-3-hydroxy-26-carboxylic acid

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External chemical identifiers:
CID_71511652; NPATLAS_NPA002433; CHEMSPIDER_78443371; ZINC_ZINC000206677000

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Chemical structure download