Summary

Molecular formula: C30H48O3
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC=C2[C@H]1CC[C@@H](C2(C)C)O)C)C)CC/C=C(/C(=O)O)C
InChI: InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-15-16-30(7)24-13-11-22-23(12-14-25(31)27(22,3)4)28(24,5)17-18-29(21,30)6/h10-11,19,21,23-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,23-,24-,25+,28+,29-,30+/m1/s1
InChIKey: JMOPTHLWCJXLBX-MTPQQZNSSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CCC3CCCC3C2C1

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: Steroids and steroid derivatives
Sub class: Cucurbitacins

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Synonymous chemical names:
(24e)-3,4-hydroxycucurbita-5,24-diene-26-oic acid, (24e)-3β-hydroxy-cucurbita-5,24-diene-26-oic acid, (24e)-3β-hydroxycucurbita-5,24-diene-26-oic acid

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External chemical identifiers:
CID_15479506; NPATLAS_NPA008334; ZINC_ZINC000255221361

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Chemical structure download