Chem
J-GLOBAL ID：200907061684624333   Nikkaji number：J1.297.173G

N-Methylasimilobine 2-glucoside

N-メチルアシミロビン2-グルコシド
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： C24H29NO7
Molecular formula furigana： C24-H29-N-O7
Molecular weight： 443.496
InChI： InChI=1S/C24H29NO7/c1-25-8-7-13-10-16(31-24-22(29)21(28)20(27)17(11-26)32-24)23(30-2)19-14-6-4-3-5-12(14)9-15(25)18(13)19/h3-6,10,15,17,20-22,24,26-29H,7-9,11H2,1-2H3/t15-,17-,20-,21+,22-,24-/m1/s1
InChI key： DMFFMULFLNQOHZ-HWUWJZMUSA-N
SMILES： COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2CCN(C)[C@@H]3Cc4ccccc4c1c23
Systematic name  (3)：
  • (6aR)-5,6,6aβ,7-テトラヒドロ-2-(β-D-グルコピラノシルオキシ)-1-メトキシ-6-メチル-4H-ジベンゾ[de,g]キノリン
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-{[(9R)-16-メトキシ-10-メチル-10-アザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17),2,4,6,13,15-ヘキサエン-15-イル]オキシ}オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(9R)-16-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,13,15-hexaen-15-yl]oxy}oxane-3,4,5-triol
Other name (3)：
  • (6aR)-5,6,6aβ,7-Tetrahydro-2-(β-D-glucopyranosyloxy)-1-methoxy-6-methyl-4H-dibenzo[de,g]quinoline
  • N-メチルアシミロビン2-グルコシド
  • N-Methylasimilobine 2-glucoside
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