Chem
J-GLOBAL ID：201007042440806797   Nikkaji number：J2.791.708I

3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17β-carboxylic acid methyl ester

3,6-ジメトキシエストラ-1,3,5(10),6,8-ペンタエン-17β-カルボン酸メチル
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： C22H26O4
Molecular formula furigana： C22-H26-O4
Molecular weight： 354.446
InChI： InChI=1S/C22H26O4/c1-22-10-9-15-14-6-5-13(24-2)11-17(14)20(25-3)12-16(15)18(22)7-8-19(22)21(23)26-4/h5-6,11-12,18-19H,7-10H2,1-4H3/t18-,19+,22-/m0/s1
InChI key： RJVUHVSRJUDNRA-JQVVWYNYSA-N
SMILES： COC(=O)[C@H]1CC[C@H]2c3cc(OC)c4cc(OC)ccc4c3CC[C@]12C
Systematic name  (3)：
  • 3,6-ジメトキシエストラ-1,3,5(10),6,8-ペンタエン-17β-カルボン酸メチル
  • メチル (1S,3aR,11aS)-5,7-ジメトキシ-11a-メチル-1H,2H,3H,3aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-カルボキシラート
  • methyl (1S,3aR,11aS)-5,7-dimethoxy-11a-methyl-1H,2H,3H,3aH,10H,11H,11aH-cyclopenta[a]phenanthrene-1-carboxylate
Other name (1)：
  • 3,6-Dimethoxyestra-1,3,5(10),6,8-pentaene-17β-carboxylic acid methyl ester
KEGG COMPOUND： C15030
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