Chem
J-GLOBAL ID：201707020543154249   Nikkaji number：J3.555.984A

5β-Cholane-3α,7α,12α-triol

5β-コラン-3α,7α,12α-トリオール
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： C24H42O3
Molecular formula furigana： C24-H42-O3
Molecular weight： 378.597
InChI： InChI=1S/C24H42O3/c1-5-6-14(2)17-7-8-18-22-19(13-21(27)24(17,18)4)23(3)10-9-16(25)11-15(23)12-20(22)26/h14-22,25-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChI key： PFZUIDNKXWIWBG-YHEMGIGTSA-N
SMILES： CCC[C@@H](C)[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)：
  • 5β-コラン-3α,7α,12α-トリオール
  • (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-9a,11a-ジメチル-1-[(2R)-ペンタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-4,7,11-トリオール
  • (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-9a,11a-dimethyl-1-[(2R)-pentan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
Other name (1)：
  • 5β-Cholane-3α,7α,12α-triol
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