Chem
J-GLOBAL ID：200907033781370423
Nikkaji number：J2.504.416I
5α-Cholestane-3β-yl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside
5α-コレスタン-3β-イル2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
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
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
Molecular formula： C35H61NO6
Molecular formula furigana： C35-H61-N-O6
Molecular weight： 591.874
InChI：
InChI=1S/C35H61NO6/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)41-33-30(36-22(4)38)32(40)31(39)29(19-37)42-33/h20-21,23-33,37,39-40H,7-19H2,1-6H3,(H,36,38)/t21-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34+,35-/m1/s1
InChI key：
NJNWWXXIXRHAQO-FAVSUQCCSA-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]1NC(=O)C
Systematic name (3)：
- 5α-コレスタン-3β-イル2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
- N-[(2R,3R,4R,5S,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}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
- N-[(2R,3R,4R,5S,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}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- 5α-Cholestane-3β-yl 2-(acetylamino)-2-deoxy-β-D-glucopyranoside
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