Chem
J-GLOBAL ID：201507057406559865   Nikkaji number：J3.337.800I

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

3α,7α,22-トリヒドロキシ-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： C24H40O5
Molecular formula furigana： C24-H40-O5
Molecular weight： 408.579
InChI： InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19?,20+,22-,23-,24+/m0/s1
InChI key： IPSHXEXQGICLQN-KRRBZGEWSA-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]3CC[C@]12C
Systematic name  (3)：
  • 3α,7α,22-トリヒドロキシ-5β-コラン-24-酸
  • (4S)-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]-3-ヒドロキシペンタン酸
  • (4S)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-3-hydroxypentanoic acid
Other name (1)：
  • 3α,7α,22-Trihydroxy-5β-cholane-24-oic acid
Thsaurus map：
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