Chem
J-GLOBAL ID:200907000341904250   Nikkaji number:J1.127.916C

3β-(Tosyloxy)-4β-hydroxy-5,6β-epoxy-5β-androstane-17-one

3β-(トシルオキシ)-4β-ヒドロキシ-5,6β-エポキシ-5β-アンドロスタン-17-オン
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: C26H34O6S
Molecular formula furigana: C26-H34-O6-S
Molecular weight: 474.610
InChI: InChI=1S/C26H34O6S/c1-15-4-6-16(7-5-15)33(29,30)32-20-11-13-25(3)19-10-12-24(2)18(8-9-21(24)27)17(19)14-22-26(25,31-22)23(20)28/h4-7,17-20,22-23,28H,8-14H2,1-3H3/t17-,18-,19-,20-,22+,23-,24-,25+,26-/m0/s1
InChI key: FHIRTHRHULSJGX-CCJVORFVSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@H]3O[C@@]23[C@H]1O
Systematic name  (3):
  • 3β-(トシルオキシ)-4β-ヒドロキシ-5,6β-エポキシ-5β-アンドロスタン-17-オン
  • (1S,2R,5S,6S,7R,9R,11R,12S,16S)-6-ヒドロキシ-2,16-ジメチル-15-オキソ-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカン-5-イル 4-メチルベンゼン-1-スルホナート
  • (1S,2R,5S,6S,7R,9R,11R,12S,16S)-6-hydroxy-2,16-dimethyl-15-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl 4-methylbenzene-1-sulfonate
Other name (1):
  • 3β-(Tosyloxy)-4β-hydroxy-5,6β-epoxy-5β-androstane-17-one
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