Chem
J-GLOBAL ID:200907074159089758   Nikkaji number:J2.249.209H

(O,O′-2H2)Estra-1(10),2,4-triene-3,17β-diol

(O,O′-2H2)エストラ-1(10),2,4-トリエン-3,17β-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: C18H22[2H]2O2
Molecular formula furigana: C18-H24-O2
Molecular weight: 274.400
InChI: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1/i20D/hD
InChI key: VOXZDWNPVJITMN-CKNMKSPVSA-N
SMILES: O([2H])[C@H]1CC[C@H]2[C@@H]3CCc4cc(O[2H])ccc4[C@H]3CC[C@]12C
Systematic name  (3):
  • (O,O′-2H2)エストラ-1(10),2,4-トリエン-3,17β-ジオール
  • (1S,3aS,3bR,9bS,11aS)-11a-メチル-1,7-ビス[(2H)オキシ]-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
  • (1S,3aS,3bR,9bS,11aS)-11a-methyl-1,7-bis[(2H)oxy]-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene
Other name (1):
  • (O,O′-2H2)Estra-1(10),2,4-triene-3,17β-diol
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