Chem
J-GLOBAL ID：200907080106645829   Nikkaji number：J1.530.817F

15β-Hydroxyestradiol 17-sulfate

15β-ヒドロキシエストラジオール17-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： C18H24O6S
Molecular formula furigana： C18-H24-O6-S
Molecular weight： 368.440
InChI： InChI=1S/C18H24O6S/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)24-25(21,22)23/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15-,16+,17-,18-/m1/s1
InChI key： OBLUTAZAUFNCBR-PDCGBLAGSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1[C@H](O)C[C@@H]2OS(=O)(=O)O
Systematic name  (3)：
  • 15β-ヒドロキシエストラジオール17-スルファート
  • [(1S,3R,3aS,3bR,9bS,11aS)-3,7-ジヒドロキシ-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-イル]オキシダンスルホン酸
  • [(1S,3R,3aS,3bR,9bS,11aS)-3,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxidanesulfonic acid
Other name (1)：
  • 15β-Hydroxyestradiol 17-sulfate
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