Chem
J-GLOBAL ID：200907096723967799   Nikkaji number：J1.252.265G

7β,12β-Dihydroxy-5β-cholane-24-oic acid methyl ester

7β,12β-ジヒドロキシ-5β-コラン-24-酸メチル
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： C25H42O4
Molecular formula furigana： C25-H42-O4
Molecular weight： 406.607
InChI： InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20+,21-,23+,24+,25-/m1/s1
InChI key： XPMSMFOWYBQWHS-KQLZVSNCSA-N
SMILES： COC(=O)CC[C@@H](C)[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)：
  • 7β,12β-ジヒドロキシ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bR,4S,5aS,9aS,9bS,11R,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]ペンタノアート
  • methyl (4R)-4-[(1R,3aS,3bR,4S,5aS,9aS,9bS,11R,11aR)-4,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (1)：
  • 7β,12β-Dihydroxy-5β-cholane-24-oic acid methyl ester
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