Chem
J-GLOBAL ID:200907026986610331   Nikkaji number:J1.676.647J

Estra-1,3,5(10)-triene-3,17β-diol 3-propanoate

エストラ-1,3,5(10)-トリエン-3,17β-ジオール3-プロパノアート
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: C21H28O3
Molecular formula furigana: C21-H28-O3
Molecular weight: 328.452
InChI: InChI=1S/C21H28O3/c1-3-20(23)24-14-5-7-15-13(12-14)4-6-17-16(15)10-11-21(2)18(17)8-9-19(21)22/h5,7,12,16-19,22H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,19+,21+/m1/s1
InChI key: FONFXFZWMZJFCD-AGRFSFNASA-N
SMILES: CCC(=O)Oc1ccc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2c1
Systematic name  (3):
  • エストラ-1,3,5(10)-トリエン-3,17β-ジオール3-プロパノアート
  • (1S,3aS,3bR,9bS,11aS)-1-ヒドロキシ-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-7-イル プロパノアート
  • (1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl propanoate
Other name (1):
  • Estra-1,3,5(10)-triene-3,17β-diol 3-propanoate
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