Summary

Molecular formula: C30H48O4
SMILES: OC(=O)CC[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/C30H48O4/c1-19(2)22-11-13-25-28(5,24(22)12-14-26(31)32)17-18-29(6)23(15-16-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,23-25H,8-9,11-18H2,1-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,23-,24-,25-,28+,29-,30+/m1/s1
InChIKey: YBIIHHTTWQAQQS-ADEQFILDSA-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-secocucur-bita-4,24-diene-3,26-dioic acid, (24e)-3,4-secocucurbita-4,24-diene-3,26-dioic acid

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External chemical identifiers:
CID_101095217; NPATLAS_NPA016636; ZINC_ZINC000238762887

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Chemical structure download