Chem
J-GLOBAL ID：200907007296294394
Nikkaji number：J1.175.743J
11α-(Chloromethylsulfonyloxy)-17β-acetylandrost-4-en-3-one
11α-(クロロメチルスルホニルオキシ)-17β-アセチルアンドロスタ-4-エン-3-オン
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： C22H31ClO5S
Molecular formula furigana： C22-H31-CL-O5-S
Molecular weight： 443.000
InChI：
InChI=1S/C22H31ClO5S/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-21(14,2)20(16)19(11-22(17,18)3)28-29(26,27)12-23/h10,16-20H,4-9,11-12H2,1-3H3/t16-,17+,18-,19+,20+,21-,22+/m0/s1
InChI key：
XLYXSTJNMYXCEV-QSZFMGJTSA-N
SMILES：
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OS(=O)(=O)CCl
Systematic name (3)：
- 11α-(クロロメチルスルホニルオキシ)-17β-アセチルアンドロスタ-4-エン-3-オン
- (1S,3aS,3bS,9aR,9bS,10R,11aS)-1-アセチル-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-10-イル クロロメタンスルホナート
- (1S,3aS,3bS,9aR,9bS,10R,11aS)-1-acetyl-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl chloromethanesulfonate
- 11α-(Chloromethylsulfonyloxy)-17β-acetylandrost-4-en-3-one
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