Chem
J-GLOBAL ID：200907010752142365
Nikkaji number：J774.714D
5α-Cholestan-3β-ol chloromethanesulfonate
5α-コレスタン-3β-オールクロロメタンスルホナート
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： C28H49ClO3S
Molecular formula furigana： C28-H49-CL-O3-S
Molecular weight： 501.210
InChI：
InChI=1S/C28H49ClO3S/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-33(30,31)18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h19-26H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChI key：
VPCPKPZYWULWKF-PGAJIAHISA-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)OS(=O)(=O)CCl
Systematic name (4)：
- 3β-(クロロメチルスルホニルオキシ)-5α-コレスタン
- 5α-コレスタン-3β-オールクロロメタンスルホナート
- (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 クロロメタンスルホナート
- (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl chloromethanesulfonate
- 5α-Cholestan-3β-ol chloromethanesulfonate
- 3β-(Chloromethylsulfonyloxy)-5α-cholestane
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