Chem
J-GLOBAL ID：200907047604156331   Nikkaji number：J2.765.948I

2-Methoxy-17β-estradiol 3-sulfate

2-メトキシ-17β-エストラジオール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： C19H26O6S
Molecular formula furigana： C19-H26-O6-S
Molecular weight： 382.470
InChI： InChI=1S/C19H26O6S/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/h9-10,12-13,15,18,20H,3-8H2,1-2H3,(H,21,22,23)/t12-,13+,15-,18-,19-/m0/s1
InChI key： HKVMUVAMCRTTDB-SSTWWWIQSA-N
SMILES： COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1OS(=O)(=O)O
Systematic name  (4)：
  • 2-メトキシ-17β-エストラジオール3-スルファート
  • 2-メトキシ-3-(スルホオキシ)エストラ-1(10),2,4-トリエン-17β-オール
  • [(1S,3aS,3bR,9bS,11aS)-1-ヒドロキシ-8-メトキシ-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-7-イル]オキシダンスルホン酸
  • [(1S,3aS,3bR,9bS,11aS)-1-hydroxy-8-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
Other name (3)：
  • 2-Methoxy-17β-estradiol 3-sulfate
  • 2-Methoxyestradiol-17beta 3-sulfate
  • 2-Methoxy-3-(sulfooxy)estra-1(10),2,4-triene-17β-ol
KEGG COMPOUND： C08359
Thsaurus map：
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