Chem
J-GLOBAL ID：200907086233339220   Nikkaji number：J2.765.944F

2-Methoxyestrone 3-sulfate

2-メトキシエストロン3-スルファート
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： C19H24O6S
Molecular formula furigana： C19-H24-O6-S
Molecular weight： 380.460
InChI： InChI=1S/C19H24O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13+,15-,19-/m0/s1
InChI key： SCVLBAOQZXPGMZ-QPWUGHHJSA-N
SMILES： COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2cc1OS(=O)(=O)O
Systematic name  (3)：
  • 3-ヒドロキシ-2-メトキシ-1,3,5(10)-エストラトリエン-17-オン3-スルファート
  • [(3aS,3bR,9bS,11aS)-8-メトキシ-11a-メチル-1-オキソ-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-7-イル]オキシダンスルホン酸
  • [(3aS,3bR,9bS,11aS)-8-methoxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
Other name (3)：
  • 3-Hydroxy-2-methoxy-1,3,5(10)-estratriene-17-one 3-sulfate
  • 2-Methoxyestrone 3-sulfate
  • 2-メトキシエストロン3-スルファート
KEGG COMPOUND： C08358
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