Chem
J-GLOBAL ID：201207031923490394   Nikkaji number：J3.079.780I

7α-Allylestradiol

7α-アリルエストラジオール
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： C21H28O2
Molecular formula furigana： C21-H28-O2
Molecular weight： 312.453
InChI： InChI=1S/C21H28O2/c1-3-4-13-11-14-12-15(22)5-6-16(14)17-9-10-21(2)18(20(13)17)7-8-19(21)23/h3,5-6,12-13,17-20,22-23H,1,4,7-11H2,2H3/t13-,17-,18+,19+,20-,21+/m1/s1
InChI key： ZVXOZHUWYBXXGO-VWMZNVFKSA-N
SMILES： C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CC=C)Cc1cc(O)ccc31
Systematic name  (3)：
  • 7α-アリルエストラジオール
  • (1S,3aS,3bR,4R,9bS,11aS)-11a-メチル-4-(プロパ-2-エン-1-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-1,7-ジオール
  • (1S,3aS,3bR,4R,9bS,11aS)-11a-methyl-4-(prop-2-en-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 7α-Allylestradiol
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