Chem
J-GLOBAL ID:200907072984952296
Nikkaji number:J131.381I
6α-Hydroxyestradiol
6α-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/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1
InChI key:
QZZRQURPSRWTLG-WOVZSMEKSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](C[C@H](O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Systematic name (5):
エストラ-1,3,5(10)-トリエン-3,6α,17β-トリオール
1,3,5(10)-エストラトリエン-3,6α,17β-トリオール
6α-ヒドロキシエストラジオール
(1S,3aS,3bR,5S,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-1,5,7-トリオール
(1S,3aS,3bR,5S,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,5,7-triol
Other name (2):
1,3,5(10)-Estratriene-3,6α,17β-triol
6α-Hydroxyestradiol
CAS registry number:
1229-24-9
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