Chem
J-GLOBAL ID:200907050827419998   Nikkaji number:J686.894K

17-[(Trifluoromethanesulfonyl)oxy]-5α-androst-16-en-3α-ol acetate

17-[(トリフルオロメタンスルホニル)オキシ]-5α-アンドロスタ-16-エン-3α-オールアセタート
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: C22H31F3O5S
Molecular formula furigana: C22-H31-F3-O5-S
Molecular weight: 464.540
InChI: InChI=1S/C22H31F3O5S/c1-13(26)29-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(21(17,3)11-9-18(16)20)30-31(27,28)22(23,24)25/h7,14-18H,4-6,8-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1
InChI key: MEAKWENNYGZFBM-XVYLQWLCSA-N
SMILES: CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(OS(=O)(=O)C(F)(F)F)[C@@]4(C)CC[C@H]23)C1
Systematic name  (3):
  • 17-[(トリフルオロメタンスルホニル)オキシ]-5α-アンドロスタ-16-エン-3α-オールアセタート
  • (3aS,3bR,5aS,7R,9aS,9bS,11aS)-9a,11a-ジメチル-1-(トリフルオロメタンスルホニルオキシ)-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル アセタート
  • (3aS,3bR,5aS,7R,9aS,9bS,11aS)-9a,11a-dimethyl-1-(trifluoromethanesulfonyloxy)-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Other name (1):
  • 17-[(Trifluoromethanesulfonyl)oxy]-5α-androst-16-en-3α-ol acetate
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