Chem
J-GLOBAL ID:200907035922272083
Nikkaji number:J1.411.360F
d4 E1
[2,4,16,16-2 H4 ]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 H18 [2 H]4 O2
Molecular formula furigana:
C18-H22-O2
Molecular weight:
274.396
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/i3D,7D2,10D
InChI key:
DNXHEGUUPJUMQT-QSPUTOQOSA-N
SMILES:
c1([2H])cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1O
Systematic name (5):
(2,4,16,16-2 H4 )エストロン
3-ヒドロキシ-1,3,5(10)-(2,4,16,16-2 H4 )エストラトリエン-17-オン
3-ヒドロキシ(2,4,16,16-2 H4 )エストラ-1(10),2,4-トリエン-17-オン
(3aS,3bR,9bS,11aS)-7-ヒドロキシ-11a-メチル(2,2,6,8-2 H4 )-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,3bR,9bS,11aS)-7-hydroxy-11a-methyl(2,2,6,8-2 H4 )-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (6):
(2,4,16,16-2 H4 )Estrone
d4 E1
[2,4,16,16-2 H4 ]エストロン
[2,4,16,16-2 H4 ]Estrone
3-Hydroxy-1,3,5(10)-(2,4,16,16-2 H4 )estratriene-17-one
3-Hydroxy(2,4,16,16-2 H4 )estra-1(10),2,4-triene-17-one
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