Chem
J-GLOBAL ID：200907075728574348   Nikkaji number：J117.953E

(20S)-3-Hydroxy-19-norpregna-1,3,5(10)-triene-20-carboxylic acid methyl ester

(20S)-3-ヒドロキシ-19-ノルプレグナ-1,3,5(10)-トリエン-20-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： C22H30O3
Molecular formula furigana： C22-H30-O3
Molecular weight： 342.479
InChI： InChI=1S/C22H30O3/c1-13(21(24)25-3)19-8-9-20-18-6-4-14-12-15(23)5-7-16(14)17(18)10-11-22(19,20)2/h5,7,12-13,17-20,23H,4,6,8-11H2,1-3H3/t13-,17+,18+,19+,20-,22+/m0/s1
InChI key： RCTUDKDMOZNHIY-DKUQFMHYSA-N
SMILES： COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Systematic name  (3)：
  • (20S)-3-ヒドロキシ-19-ノルプレグナ-1,3,5(10)-トリエン-20-カルボン酸メチル
  • メチル (2S)-2-[(1R,3aS,3bS,9bS,11aS)-7-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]プロパノアート
  • methyl (2S)-2-[(1R,3aS,3bS,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]propanoate
Other name (1)：
  • (20S)-3-Hydroxy-19-norpregna-1,3,5(10)-triene-20-carboxylic acid methyl ester
CAS registry number： 20248-21-9
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