Chem
J-GLOBAL ID:200907048947339977   Nikkaji number:J552.785F

17-[(1S,2R)-1-Methyl-2-acetoxy-3-pentynyl]-3β-acetoxyandrosta-5,16-diene

17-[(1S,2R)-1-メチル-2-アセトキシ-3-ペンチニル]-3β-アセトキシアンドロスタ-5,16-ジエン
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: C29H40O4
Molecular formula furigana: C29-H40-O4
Molecular weight: 452.635
InChI: InChI=1S/C29H40O4/c1-7-8-27(33-20(4)31)18(2)24-11-12-25-23-10-9-21-17-22(32-19(3)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h9,11,18,22-23,25-27H,10,12-17H2,1-6H3/t18-,22-,23-,25-,26-,27-,28-,29+/m0/s1
InChI key: HXZFUNOTCFSQEB-FLEMKRBTSA-N
SMILES: CC#C[C@H](OC(=O)C)[C@@H](C)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C
Systematic name  (3):
  • 17-[(1S,2R)-1-メチル-2-アセトキシ-3-ペンチニル]-3β-アセトキシアンドロスタ-5,16-ジエン
  • (2S,3R)-2-[(3aS,3bR,7S,9aR,9bS,11aS)-7-(アセチルオキシ)-9a,11a-ジメチル-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]ヘキサ-4-イン-3-イル アセタート
  • (2S,3R)-2-[(3aS,3bR,7S,9aR,9bS,11aS)-7-(acetyloxy)-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]hex-4-yn-3-yl acetate
Other name (1):
  • 17-[(1S,2R)-1-Methyl-2-acetoxy-3-pentynyl]-3β-acetoxyandrosta-5,16-diene
Thsaurus map:

Return to Previous Page