Chem
J-GLOBAL ID:200907078334518662
Nikkaji number:J893.841E
7α-Hydroxyestradiol
7α-ヒドロキシエストラジオール
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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 O3
Molecular formula furigana:
C18-H24-O3
Molecular weight:
288.387
InChI:
InChI=1S/C18H24O3/c1-18-7-6-13-12-3-2-11(19)8-10(12)9-15(20)17(13)14(18)4-5-16(18)21/h2-3,8,13-17,19-21H,4-7,9H2,1H3/t13-,14+,15-,16+,17-,18+/m1/s1
InChI key:
CQPNIWHVQNCXHA-HTPGKPQGSA-N
SMILES:
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](O)Cc1cc(O)ccc31
Systematic name (4):
エストラ-1,3,5(10)-トリエン-3,7α,17β-トリオール
7α-ヒドロキシエストラジオール
(1S,3aS,3bR,4R,9bS,11aS)-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-1,4,7-トリオール
(1S,3aS,3bR,4R,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,4,7-triol
Other name (2):
Estra-1,3,5(10)-triene-3,7α,17β-triol
7α-Hydroxyestradiol
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