Chem
J-GLOBAL ID:201207021815139421   Nikkaji number:J3.017.070I

1α-(4-Phenyl-1H-1,2,3-triazole-1-yl)-17β-acetoxy-5α-androstane-3-one

1α-(4-フェニル-1H-1,2,3-トリアゾール-1-イル)-17β-アセトキシ-5α-アンドロスタン-3-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: C29H37N3O3
Molecular formula furigana: C29-H37-N3-O3
Molecular weight: 475.633
InChI: InChI=1S/C29H37N3O3/c1-18(33)35-27-12-11-23-22-10-9-20-15-21(34)16-26(29(20,3)24(22)13-14-28(23,27)2)32-17-25(30-31-32)19-7-5-4-6-8-19/h4-8,17,20,22-24,26-27H,9-16H2,1-3H3/t20-,22-,23-,24-,26-,27-,28-,29-/m0/s1
InChI key: VIKXZQHWMSPAKA-JWJUPQIHSA-N
SMILES: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](n5cc(nn5)c5ccccc5)[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 1α-(4-フェニル-1H-1,2,3-トリアゾール-1-イル)-17β-アセトキシ-5α-アンドロスタン-3-オン
  • (1S,3aS,3bR,5aS,9S,9aS,9bS,11aS)-9a,11a-ジメチル-7-オキソ-9-(4-フェニル-1H-1,2,3-トリアゾール-1-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-1-イル アセタート
  • (1S,3aS,3bR,5aS,9S,9aS,9bS,11aS)-9a,11a-dimethyl-7-oxo-9-(4-phenyl-1H-1,2,3-triazol-1-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl acetate
Other name (1):
  • 1α-(4-Phenyl-1H-1,2,3-triazole-1-yl)-17β-acetoxy-5α-androstane-3-one
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