Chem
J-GLOBAL ID:200907018098588422   Nikkaji number:J912.718F

J-898

17-[(4-ヒドロキシフェニル)チオメチル]-1,3,5(10),9(11)-エストラテトラエン-3,17β-ジオール
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: C25H28O3S
Molecular formula furigana: C25-H28-O3-S
Molecular weight: 408.560
InChI: InChI=1S/C25H28O3S/c1-24-12-10-21-20-9-5-18(27)14-16(20)2-8-22(21)23(24)11-13-25(24,28)15-29-19-6-3-17(26)4-7-19/h3-7,9-10,14,22-23,26-28H,2,8,11-13,15H2,1H3/t22-,23+,24+,25-/m1/s1
InChI key: DKQRGSAHSYTWML-WSOYEBOPSA-N
SMILES: C[C@]12CC=C3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)CSc1ccc(O)cc1
Systematic name  (3):
  • 17-[(4-ヒドロキシフェニル)チオメチル]-1,3,5(10),9(11)-エストラテトラエン-3,17β-ジオール
  • (1S,3aS,3bS,11aS)-1-{[(4-ヒドロキシフェニル)スルファニル]メチル}-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1S,3aS,3bS,11aS)-1-{[(4-hydroxyphenyl)sulfanyl]methyl}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (2):
  • J-898
  • 17-[(4-Hydroxyphenyl)thiomethyl]-1,3,5(10),9(11)-estratetrene-3,17β-diol
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