Chem
J-GLOBAL ID：200907010142952292
Nikkaji number：J1.761.705B
2-Allyl-5-[[(3aα,6aα)-6β-hydroxy-6-benzyloctahydrocyclopenta[b]pyrrole-1-yl]carbonyl]-1,2-dihydropyridine-1-carboxylic acid methyl ester
2-アリル-5-[[(3aα,6aα)-6β-ヒドロキシ-6-ベンジルオクタヒドロシクロペンタ[b]ピロール-1-イル]カルボニル]-1,2-ジヒドロピリジン-1-カルボン酸メチル
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
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
Molecular formula： C25H30N2O4
Molecular formula furigana： C25-H30-N2-O4
Molecular weight： 422.525
InChI：
InChI=1S/C25H30N2O4/c1-3-7-21-11-10-20(17-27(21)24(29)31-2)23(28)26-15-13-19-12-14-25(30,22(19)26)16-18-8-5-4-6-9-18/h3-6,8-11,17,19,21-22,30H,1,7,12-16H2,2H3/t19-,21?,22+,25+/m1/s1
InChI key：
PCPRUXODEBXEOX-NIYUQJHVSA-N
SMILES：
COC(=O)N1C=C(C=CC1CC=C)C(=O)N1CC[C@H]2CC[C@](O)(Cc3ccccc3)[C@@H]12
Systematic name (3)：
- 2-アリル-5-[[(3aα,6aα)-6β-ヒドロキシ-6-ベンジルオクタヒドロシクロペンタ[b]ピロール-1-イル]カルボニル]-1,2-ジヒドロピリジン-1-カルボン酸メチル
- メチル 5-[(3aR,6S,6aS)-6-ベンジル-6-ヒドロキシ-オクタヒドロシクロペンタ[b]ピロール-1-カルボニル]-2-(プロパ-2-エン-1-イル)-1,2-ジヒドロピリジン-1-カルボキシラート
- methyl 5-[(3aR,6S,6aS)-6-benzyl-6-hydroxy-octahydrocyclopenta[b]pyrrole-1-carbonyl]-2-(prop-2-en-1-yl)-1,2-dihydropyridine-1-carboxylate
- 2-Allyl-5-[[(3aα,6aα)-6β-hydroxy-6-benzyloctahydrocyclopenta[b]pyrrole-1-yl]carbonyl]-1,2-dihydropyridine-1-carboxylic acid methyl ester
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