Chem
J-GLOBAL ID：200907037261108071   Nikkaji number：J1.639.571D

3α,7α,12α-Triacetoxy-5-hydroxy-5β-cholane-24-oic acid methyl ester

3α,7α,12α-トリアセトキシ-5-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： C31H48O9
Molecular formula furigana： C31-H48-O9
Molecular weight： 564.716
InChI： InChI=1S/C31H48O9/c1-17(8-11-27(35)37-7)22-9-10-23-28-24(14-26(30(22,23)6)40-20(4)34)29(5)13-12-21(38-18(2)32)15-31(29,36)16-25(28)39-19(3)33/h17,21-26,28,36H,8-16H2,1-7H3/t17-,21-,22-,23+,24+,25-,26+,28+,29-,30-,31-/m1/s1
InChI key： KCCZJZRNQWPLQJ-DSGQNRRMSA-N
SMILES： COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@]4(O)C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(=O)C)[C@]12C)OC(=O)C)OC(=O)C
Systematic name  (3)：
  • 3α,7α,12α-トリアセトキシ-5-ヒドロキシ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bS,4R,5aR,7R,9aR,9bS,11S,11aR)-4,7,11-トリス(アセチルオキシ)-5a-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,3bS,4R,5aR,7R,9aR,9bS,11S,11aR)-4,7,11-tris(acetyloxy)-5a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (1)：
  • 3α,7α,12α-Triacetoxy-5-hydroxy-5β-cholane-24-oic acid methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM