Chem
J-GLOBAL ID：201007012327977732   Nikkaji number：J2.794.467A

3-(Allyloxy)estra-1,3,5(10)-triene-16β,17β-diol

3-(2-プロペニルオキシ)エストラ-1,3,5(10)-トリエン-16β,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： C21H28O3
Molecular formula furigana： C21-H28-O3
Molecular weight： 328.452
InChI： InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19+,20+,21+/m1/s1
InChI key： GVKVGOGUDSJCLX-OFELHODLSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@H](O)[C@@H]2O
Systematic name  (3)：
  • 3-(2-プロペニルオキシ)エストラ-1,3,5(10)-トリエン-16β,17β-ジオール
  • (1R,2S,3aS,3bR,9bS,11aS)-11a-メチル-7-(プロパ-2-エン-1-イルオキシ)-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-1,2-ジオール
  • (1R,2S,3aS,3bR,9bS,11aS)-11a-methyl-7-(prop-2-en-1-yloxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-diol
Other name (2)：
  • 3-(2-Propenyloxy)estra-1,3,5(10)-triene-16β,17β-diol
  • 3-(Allyloxy)estra-1,3,5(10)-triene-16β,17β-diol
KEGG COMPOUND： C15443
Thsaurus map：
Thesaurus Map

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