Chem
J-GLOBAL ID:200907074418421693   Nikkaji number:J2.053B

Chenodeoxycholic acid

ケノデオキシコール酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C24H40O4
Molecular formula furigana: C24-H40-O4
Molecular weight: 392.580
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChI key: RUDATBOHQWOJDD-BSWAIDMHSA-N
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4):
  • 3α,7α-ジヒドロキシ-5β-コラン酸
  • 3α,7α-ジヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタン酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (37):
  • ケン酸
  • ウルメニド
  • ケニックス
  • ケノビラン
  • ケンドール
Show all
CAS registry number: 474-25-9
Regulation number (4):
  • 7-(1)-446
  • FZ1980000
  • EINECS2074818
  • (9)-470
KEGG DRUG: D00163
KEGG COMPOUND: C02528
Application (3):
lithontriptic ,  derived lipid ,  cholagogue
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