Summary

Molecular formula: C31H48O3
SMILES: CC(C(=C)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C(=O)O)C
InChI: InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChIKey: ONFPYGOMAADWAT-OXUZYLMNSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(=CCC3CCCCC23)C2CCCC2C1

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: Bile acids, alcohols and derivatives

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Synonymous chemical names:
dehydroeburicoic acid

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External chemical identifiers:
CID_15250826; CHEMSPIDER_26344258; ZINC_ZINC000028654636; Molport_MolPort-039-338-562

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Chemical structure download