Chem
J-GLOBAL ID:200907027494065970   Nikkaji number:J1.095.944F

1β,5-(Epoxyimino)-19-methyl-5β-estrane-3β,17β-diol

1β,5-(エポキシイミノ)-19-メチル-5β-エストラン-3β,17β-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: C19H31NO3
Molecular formula furigana: C19-H31-N-O3
Molecular weight: 321.461
InChI: InChI=1S/C19H31NO3/c1-18-7-5-13-12(14(18)3-4-16(18)22)6-8-19-10-11(21)9-15(17(13)19)23-20(19)2/h11-17,21-22H,3-10H2,1-2H3/t11-,12+,13-,14-,15+,16-,17-,18-,19-/m0/s1
InChI key: NWZYNTVCMPNRIE-BQUMSZHFSA-N
SMILES: CN1O[C@@H]2C[C@H](O)C[C@@]31CC[C@H]1[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]1[C@@H]23
Systematic name  (3):
  • 1β,5-(エポキシイミノ)-19-メチル-5β-エストラン-3β,17β-ジオール
  • (1S,4R,5S,8S,9S,12S,13R,14R,16R)-9,18-ジメチル-19-オキサ-18-アザペンタシクロ[12.3.2.01,13.04,12.05,9]ノナデカン-8,16-ジオール
  • (1S,4R,5S,8S,9S,12S,13R,14R,16R)-9,18-dimethyl-19-oxa-18-azapentacyclo[12.3.2.01,13.04,12.05,9]nonadecane-8,16-diol
Other name (1):
  • 1β,5-(Epoxyimino)-19-methyl-5β-estrane-3β,17β-diol
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