Chem
J-GLOBAL ID:200907010928409363   Nikkaji number:J1.047.800F

3-Methoxy-17-(3-methylisoxazole-5-yl)estra-1,3,5(10)-triene-16α,17α-diol

3-メトキシ-17-(3-メチルイソオキサゾール-5-イル)エストラ-1,3,5(10)-トリエン-16α,17α-ジオール
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: C23H29NO4
Molecular formula furigana: C23-H29-N-O4
Molecular weight: 383.488
InChI: InChI=1S/C23H29NO4/c1-13-10-21(28-24-13)23(26)20(25)12-19-18-6-4-14-11-15(27-3)5-7-16(14)17(18)8-9-22(19,23)2/h5,7,10-11,17-20,25-26H,4,6,8-9,12H2,1-3H3/t17-,18-,19+,20-,22+,23+/m1/s1
InChI key: SJQLWOUWDZMSGH-LEFKJUFISA-N
SMILES: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](O)[C@]4(O)c4cc(C)no4)[C@@H]3CCc2c1
Systematic name  (3):
  • 3-メトキシ-17-(3-メチルイソオキサゾール-5-イル)エストラ-1,3,5(10)-トリエン-16α,17α-ジオール
  • (1S,2R,3aS,3bR,9bS,11aS)-7-メトキシ-11a-メチル-1-(3-メチル-1,2-オキサゾール-5-イル)-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-1,2-ジオール
  • (1S,2R,3aS,3bR,9bS,11aS)-7-methoxy-11a-methyl-1-(3-methyl-1,2-oxazol-5-yl)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-diol
Other name (1):
  • 3-Methoxy-17-(3-methylisoxazole-5-yl)estra-1,3,5(10)-triene-16α,17α-diol
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