Chem
J-GLOBAL ID:200907085365348826
Nikkaji number:J6.323A
8α-Estrone
8α-エストロン
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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 H22 O2
Molecular formula furigana:
C18-H22-O2
Molecular weight:
270.372
InChI:
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18+/m1/s1
InChI key:
DNXHEGUUPJUMQT-CVYDXHPNSA-N
SMILES:
C[C@]12CC[C@H]3[C@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
Systematic name (3):
(8α)-3-ヒドロキシエストラ-1,3,5(10)-トリエン-17-オン
(3aS,3bS,9bS,11aS)-7-ヒドロキシ-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-オン
(3aS,3bS,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (9):
8α-エストロン
8-イソエストロン
8-エピエストロン
8α-Estrone
8-Epiestrone
8-Isoestrone
(8α)-3-Hydroxyestra-1,3,5(10)-trien-17-one
イソエストロン
Isoestrone
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CAS registry number:
517-06-6
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