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CHEBI:747206 - 7β-isopropylchenodeoxycholic acid

Default Structure
ChEBI IDCHEBI:747206
ChEBI Name7β-isopropylchenodeoxycholic acid
Stars
ASCII Name7beta-isopropylchenodeoxycholic acid
Definitionβ-isopropylchenodeoxycholic acid (also known as 7β-isopropyl-CDCA) is a synthetic bile acid derivative and a specific farnesoid X receptor (FXR) antagonist.
Last Modified20 February 2026
Submittercyan
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@@](O)(C(C)C)C2
InChIInChI=1S/C27H46O4/c1-16(2)27(31)15-18-14-19(28)10-12-25(18,4)22-11-13-26(5)20(7-8-21(26)24(22)27)17(3)6-9-23(29)30/h16-22,24,28,31H,6-15H2,1-5H3,(H,29,30)/t17-,18+,19-,20-,21+,22+,24+,25+,26-,27+/m1/s1
InChIKeyTYGBWDRSJOEXAE-BRVFDLQESA-N
ChEBI Ontology
Outgoing Relation(s)
7β-isopropylchenodeoxycholic acid (CHEBI:747206) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3α,7α-dihydroxy-7β-(propan-2-yl)-5β-cholan-24-oic acid
Synonym  Source
7β-ipCDCAChEBI
Citations