Chem
J-GLOBAL ID:200907017833101706   Nikkaji number:J1.419.287E

3-(Hydroxyimino)-17-(1,2-propadienyl)estra-4-ene-17β-ol

3-(ヒドロキシイミノ)-17-(1,2-プロパジエニル)エストラ-4-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: C21H29NO2
Molecular formula furigana: C21-H29-N-O2
Molecular weight: 327.468
InChI: InChI=1S/C21H29NO2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22-24)5-7-16(14)17(18)8-11-20(19,21)2/h10,13,16-19,23-24H,1,4-9,11-12H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChI key: JAOFIBKJPAHQNQ-XUDSTZEESA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NO)CC[C@H]34)[C@@H]1CC[C@@]2(O)C=C=C
Systematic name  (3):
  • 3-(ヒドロキシイミノ)-17-(1,2-プロパジエニル)エストラ-4-エン-17β-オール
  • (1R,3aS,3bR,9aR,9bS,11aS)-7-(ヒドロキシイミノ)-11a-メチル-1-(プロパ-1,2-ジエン-1-イル)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-オール
  • (1R,3aS,3bR,9aR,9bS,11aS)-7-(hydroxyimino)-11a-methyl-1-(propa-1,2-dien-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol
Other name (1):
  • 3-(Hydroxyimino)-17-(1,2-propadienyl)estra-4-ene-17β-ol
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