Chem
J-GLOBAL ID：201507000235468848   Nikkaji number：J3.337.799A

3α,7α,12α,22-Tetrahydroxy-5β-cholane-24-oic acid

3α,7α,12α,22-テトラヒドロキシ-5β-コラン-24-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： C24H40O6
Molecular formula furigana： C24-H40-O6
Molecular weight： 424.578
InChI： InChI=1S/C24H40O6/c1-12(18(26)11-21(29)30)15-4-5-16-22-17(10-20(28)24(15,16)3)23(2)7-6-14(25)8-13(23)9-19(22)27/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14+,15+,16-,17-,18?,19+,20-,22-,23-,24+/m0/s1
InChI key： TYSUYXNPZGYIGQ-LTTUGKINSA-N
SMILES： C[C@H](C(O)CC(=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]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 3α,7α,12α,22-テトラヒドロキシ-5β-コラン-24-酸
  • (4S)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-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]-3-ヒドロキシペンタン酸
  • (4S)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxypentanoic acid
Other name (1)：
  • 3α,7α,12α,22-Tetrahydroxy-5β-cholane-24-oic acid
Thsaurus map：
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