Chem
J-GLOBAL ID：201007013150125362   Nikkaji number：J2.797.076A

3-(3,17β-Dihydroxyestra-1,3,5(10)-triene-16β-ylmethyl)benzamide

3-(3,17β-ジヒドロキシエストラ-1,3,5(10)-トリエン-16β-イルメチル)ベンズアミド
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： C26H31NO3
Molecular formula furigana： C26-H31-N-O3
Molecular weight： 405.538
InChI： InChI=1S/C26H31NO3/c1-26-10-9-21-20-8-6-19(28)13-16(20)5-7-22(21)23(26)14-18(24(26)29)12-15-3-2-4-17(11-15)25(27)30/h2-4,6,8,11,13,18,21-24,28-29H,5,7,9-10,12,14H2,1H3,(H2,27,30)/t18-,21+,22+,23-,24-,26-/m0/s1
InChI key： RSVOVHDOLNWYER-RYZVYYIHSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](Cc1cccc(c1)C(=O)N)[C@@H]2O
Systematic name  (4)：
  • 3-(3,17β-ジヒドロキシエストラ-1,3,5(10)-トリエン-16β-イルメチル)ベンズアミド
  • 3-[[3,17β-ジヒドロキシエストラ-1(10),2,4-トリエン-16β-イル]メチル]ベンズアミド
  • 3-{[(1S,2R,3aS,3bR,9bS,11aS)-1,7-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-2-イル]メチル}ベンズアミド
  • 3-{[(1S,2R,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]methyl}benzamide
Other name (2)：
  • 3-(3,17β-Dihydroxyestra-1,3,5(10)-triene-16β-ylmethyl)benzamide
  • 3-[[3,17β-Dihydroxyestra-1(10),2,4-triene-16β-yl]methyl]benzamide
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