Chem
J-GLOBAL ID：200907023388192470   Nikkaji number：J363.678J

Isodeoxycholic acid

イソデオキシコール酸
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(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/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： ZHCAAZIHTDCFJX-QLEQUTGBSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 7α,12α-ジヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aS,9aS,9bS,11S,11aR)-4,11-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,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (3)：
  • 7α,12α-Dihydroxy-5β-cholan-24-oic acid
  • イソデオキシコール酸
  • Isodeoxycholic acid
KEGG COMPOUND： C17661
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