Chem
J-GLOBAL ID:200907048981752158
Nikkaji number:J39.550A
16β-Estradiol
16β-エストラジオール
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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:
C18 H24 O2
Molecular formula furigana:
C18-H24-O2
Molecular weight:
272.388
InChI:
InChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1
InChI key:
DVMAUGGKVWJBDV-IREHDKGXSA-N
SMILES:
C[C@@]12C[C@@H](O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2
Systematic name (3):
エストラ-1,3,5(10)-トリエン-3,16β-ジオール
(2S,3aS,3bS,9bS,11aR)-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-2,7-ジオール
(2S,3aS,3bS,9bS,11aR)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-diol
Other name (3):
16β-エストラジオール
16β-Estradiol
Estra-1,3,5(10)-triene-3,16β-diol
CAS registry number:
1225-58-7
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