Chem
J-GLOBAL ID：200907020905168160   Nikkaji number：J619.305F

(3aS,5S,6aS,7S,7aR,11aR)-1,2,3,3a,4,5,6a,7,7a,8,9,10,11,11a-Tetradecahydro-5-ethoxyphenanthro[10,1-bc]pyran-7-carboxylic acid methyl ester

メチル (2R,7R,8S,9S,11S,13S)-11-エトキシ-10-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17)-エン-8-カルボキシラート
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： C20H30O4
Molecular formula furigana： C20-H30-O4
Molecular weight： 334.456
InChI： InChI=1S/C20H30O4/c1-3-23-16-11-12-7-6-10-14-13-8-4-5-9-15(13)18(20(21)22-2)19(24-16)17(12)14/h12-13,15-16,18-19H,3-11H2,1-2H3/t12-,13-,15+,16-,18-,19+/m0/s1
InChI key： LHGQDKDNAAGOMZ-GMQQFBFESA-N
SMILES： CCO[C@@H]1C[C@@H]2CCCC3=C2[C@@H](O1)[C@H]([C@@H]1CCCC[C@@H]31)C(=O)OC
Systematic name  (3)：
  • (3aS,5S,6aS,7S,7aR,11aR)-1,2,3,3a,4,5,6a,7,7a,8,9,10,11,11a-テトラデカヒドロ-5-エトキシフェナントロ[10,1-bc]ピラン-7-カルボン酸メチル
  • メチル (2R,7R,8S,9S,11S,13S)-11-エトキシ-10-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17)-エン-8-カルボキシラート
  • methyl (2R,7R,8S,9S,11S,13S)-11-ethoxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-1(17)-ene-8-carboxylate
Other name (1)：
  • (3aS,5S,6aS,7S,7aR,11aR)-1,2,3,3a,4,5,6a,7,7a,8,9,10,11,11a-Tetradecahydro-5-ethoxyphenanthro[10,1-bc]pyran-7-carboxylic acid methyl ester
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