Chem
J-GLOBAL ID:200907049371462120   Nikkaji number:J385.450G

(17R)-3-Methoxy-9-azido-17-ethynylestra-1,3,5(10)-trien-17β-ol

(17R)-3-メトキシ-9-アジド-17-エチニルエストラ-1,3,5(10)-トリエン-17β-オール
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: C21H25N[N-][N+]O2
Molecular formula furigana: C21-H25-N3-O2
Molecular weight: 351.450
InChI: InChI=1S/C21H25N3O2/c1-4-20(25)10-9-17-18-7-5-14-13-15(26-3)6-8-16(14)21(18,23-24-22)12-11-19(17,20)2/h1,6,8,13,17-18,25H,5,7,9-12H2,2-3H3/t17-,18-,19-,20-,21-/m0/s1
InChI key: HLRSMKPVCSOOPS-SXYSDOLCSA-N
SMILES: COc1ccc2c(CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@]23N=[N+]=[N-])c1
Systematic name  (3):
  • (17R)-3-メトキシ-9-アジド-17-エチニルエストラ-1,3,5(10)-トリエン-17β-オール
  • (1R,3aS,3bS,9bR,11aS)-9b-アジド-1-エチニル-7-メトキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オール
  • (1R,3aS,3bS,9bR,11aS)-9b-azido-1-ethynyl-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
Other name (1):
  • (17R)-3-Methoxy-9-azido-17-ethynylestra-1,3,5(10)-trien-17β-ol
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