Chem
J-GLOBAL ID：201407093725948547   Nikkaji number：J3.310.848F

2-(4-Methoxybenzyl)-3-oxo-9aα-(2-oxo-2-methoxyethyl)-2,3,3aα,3bβ,5,6,8aβ,9a-octahydro-2-aza-4,9-dioxa-1H-cyclopenta[a]azulene-1α-carboxylic acid methyl ester

2-(4-メトキシベンジル)-3-オキソ-9aα-(2-オキソ-2-メトキシエチル)-2,3,3aα,3bβ,5,6,8aβ,9a-オクタヒドロ-2-アザ-4,9-ジオキサ-1H-シクロペンタ[a]アズレン-1α-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： C23H27NO8
Molecular formula furigana： C23-H27-N-O8
Molecular weight： 445.468
InChI： InChI=1S/C23H27NO8/c1-28-15-9-7-14(8-10-15)13-24-20(22(27)30-3)23(12-17(25)29-2)18(21(24)26)19-16(32-23)6-4-5-11-31-19/h4,6-10,16,18-20H,5,11-13H2,1-3H3/t16-,18+,19+,20-,23+/m0/s1
InChI key： XHNBGOAORCTXKN-NPLGLAOASA-N
SMILES： COC(=O)C[C@@]12O[C@H]3C=CCCO[C@H]3[C@@H]1C(=O)N(Cc1ccc(OC)cc1)[C@H]2C(=O)OC
Systematic name  (3)：
  • 2-(4-メトキシベンジル)-3-オキソ-9aα-(2-オキソ-2-メトキシエチル)-2,3,3aα,3bβ,5,6,8aβ,9a-オクタヒドロ-2-アザ-4,9-ジオキサ-1H-シクロペンタ[a]アズレン-1α-カルボン酸メチル
  • メチル (1S,2S,5R,6R,8S)-6-(2-メトキシ-2-オキソエチル)-4-[(4-メトキシフェニル)メチル]-3-オキソ-7,13-ジオキサ-4-アザトリシクロ[6.5.0.02,6]トリデカ-9-エン-5-カルボキシラート
  • methyl (1S,2S,5R,6R,8S)-6-(2-methoxy-2-oxoethyl)-4-[(4-methoxyphenyl)methyl]-3-oxo-7,13-dioxa-4-azatricyclo[6.5.0.02,6]tridec-9-ene-5-carboxylate
Other name (1)：
  • 2-(4-Methoxybenzyl)-3-oxo-9aα-(2-oxo-2-methoxyethyl)-2,3,3aα,3bβ,5,6,8aβ,9a-octahydro-2-aza-4,9-dioxa-1H-cyclopenta[a]azulene-1α-carboxylic acid methyl ester
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