Chem
J-GLOBAL ID：200907052853014419   Nikkaji number：J14.876H

Allochenodeoxycholic acid

アロ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-IKAPKQLESA-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-5α-コラン-24-酸
  • 3α,7α-ジヒドロキシ-5α-コラン酸
  • (4R)-4-[(1R,3aS,3bR,4R,5aR,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,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (5)：
  • アロケノデオキシコール酸
  • Allochenodeoxycholic acid
  • allo-Chenodeoxycholic acid
  • 3α,7α-Dihydroxy-5α-cholan-24-oic acid
  • 3α,7α-Dihydroxy-5α-cholanic acid
CAS registry number： 15357-34-3
KEGG COMPOUND： C17664
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