Chem
J-GLOBAL ID：200907057101142312   Nikkaji number：J143.635J

O-Acetylminovincinine

O-アセチルミノビンシニン
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： C23H28N2O4
Molecular formula furigana： C23-H28-N2-O4
Molecular weight： 396.487
InChI： InChI=1S/C23H28N2O4/c1-14(29-15(2)26)22-9-6-11-25-12-10-23(21(22)25)17-7-4-5-8-18(17)24-19(23)16(13-22)20(27)28-3/h4-5,7-8,14,21,24H,6,9-13H2,1-3H3/t14-,21+,22+,23+/m1/s1
InChI key： UELNVPGLHDEZFM-HZTRNQAASA-N
SMILES： COC(=O)C1=C2Nc3ccccc3[C@]32CCN2CCC[C@](C1)([C@@H](C)OC(=O)C)[C@@H]32
Systematic name  (3)：
  • (5α,12β,19α,20R)-20-アセチルオキシ-2,3-ジデヒドロアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1R,12R,19R)-12-[(1R)-1-(アセチルオキシ)エチル]-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,9-テトラエン-10-カルボキシラート
  • methyl (1R,12R,19R)-12-[(1R)-1-(acetyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Other name (3)：
  • O-アセチルミノビンシニン
  • O-Acetylminovincinine
  • (5α,12β,19α,20R)-20-Acetyloxy-2,3-didehydroaspidospermidine-3-carboxylic acid methyl ester
CAS registry number： 56143-41-0
KEGG COMPOUND： C11784
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