Chem
J-GLOBAL ID：201507014968756310   Nikkaji number：J3.416.233F

3-Hydroxy-4-[(5-hydroxy-1H-indole-3-yl)thio]estra-1(10),2,4-triene-17-one

3-ヒドロキシ-4-[(5-ヒドロキシ-1H-インドール-3-イル)チオ]エストラ-1(10),2,4-トリエン-17-オン
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： C26H27NO3S
Molecular formula furigana： C26-H27-N-O3-S
Molecular weight： 433.570
InChI： InChI=1S/C26H27NO3S/c1-26-11-10-16-15-5-8-22(29)25(18(15)4-3-17(16)20(26)6-9-24(26)30)31-23-13-27-21-7-2-14(28)12-19(21)23/h2,5,7-8,12-13,16-17,20,27-29H,3-4,6,9-11H2,1H3/t16-,17-,20+,26+/m1/s1
InChI key： BVDVOSJOIBMGBX-HVIULFBWSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4c(Sc5c[nH]c6ccc(O)cc56)c(O)ccc34)[C@@H]1CCC2=O
Systematic name  (3)：
  • 3-ヒドロキシ-4-[(5-ヒドロキシ-1H-インドール-3-イル)チオ]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-6-[(5-ヒドロキシ-1H-インドール-3-イル)スルファニル]-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-オン
  • (3aS,3bR,9bS,11aS)-7-hydroxy-6-[(5-hydroxy-1H-indol-3-yl)sulfanyl]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (1)：
  • 3-Hydroxy-4-[(5-hydroxy-1H-indole-3-yl)thio]estra-1(10),2,4-triene-17-one
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