Chem
J-GLOBAL ID：200907029654039672   Nikkaji number：J2.504.418E

5α-Cholestane-3β-yl β-D-galactopyranoside

5α-コレスタン-3β-イルβ-D-ガラクトピラノシド
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： C33H58O6
Molecular formula furigana： C33-H58-O6
Molecular weight： 550.821
InChI： InChI=1S/C33H58O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h19-31,34-37H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-/m1/s1
InChI key： WCKMVARSQFCTKY-HUPCGSHSSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 5α-コレスタン-3β-イルβ-D-ガラクトピラノシド
  • (2R,3R,4S,5R,6R)-2-{[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-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-7-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5R,6R)-2-{[(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 5α-Cholestane-3β-yl β-D-galactopyranoside
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