Summary

Molecular formula: C30H48O5
SMILES: OCCC[C@@H]1/C(=C(C(=O)O)/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/C30H48O5/c1-19(9-7-10-20(2)26(32)33)23-14-15-30(6)25-13-12-22(21(3)27(34)35)24(11-8-18-31)28(25,4)16-17-29(23,30)5/h10,19,23-25,31H,7-9,11-18H2,1-6H3,(H,32,33)(H,34,35)/b20-10+,22-21-/t19-,23-,24-,25-,28+,29-,30+/m1/s1
InChIKey: ATZQJRLRJKPHQB-ZECBZNPZSA-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:
(24e)-3,4-seco-cucurbita-4,24-diene-3-hydroxy-26,29-dioic acid, 24e-3,4-seco-cucurbita-4,24-diene-3-hydroxy-26,29-dioic acid

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External chemical identifiers:
CID_139590780; NPATLAS_NPA023520

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Chemical structure download