Chem
J-GLOBAL ID：200907068870763208   Nikkaji number：J1.816.943F

3α,7β-Dihydroxy-5β-cholane-24-oic acid α-D-glucopyranosyl ester

ウルソデオキシコール酸α-D-グルコピラノシル
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： C30H50O9
Molecular formula furigana： C30-H50-O9
Molecular weight： 554.721
InChI： InChI=1S/C30H50O9/c1-15(4-7-23(34)39-28-27(37)26(36)25(35)22(14-31)38-28)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(32)12-16(29)13-21(24)33/h15-22,24-28,31-33,35-37H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21+,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1
InChI key： BRTVMMVBEPKHFJ-CYIRBYAUSA-N
SMILES： C[C@H](CCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[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,7β-ジヒドロキシ-5β-コラン-24-酸α-D-グルコピラノシル
  • (2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル (4R)-4-[(1R,3aS,3bR,4S,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]ペンタノアート
  • (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (2)：
  • 3α,7β-Dihydroxy-5β-cholane-24-oic acid α-D-glucopyranosyl ester
  • ウルソデオキシコール酸α-D-グルコピラノシル
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM