Chem
J-GLOBAL ID:200907048624983567   Nikkaji number:J2.694.828B

(1R,12R)-1β,3β-Ethano-2-(tert-butyloxycarbonyl)-4-oxo-6β-(hydroxymethyl)-7-hydroxy-8,10-dimethoxy-9-methyl-1,3,4,6,11,11aα-hexahydro-2H-pyrazino[1,2-b]isoquinoline-12-carbaldehyde

(1R,12R)-1β,3β-エタノ-2-(tert-ブチルオキシカルボニル)-4-オキソ-6β-(ヒドロキシメチル)-7-ヒドロキシ-8,10-ジメトキシ-9-メチル-1,3,4,6,11,11aα-ヘキサヒドロ-2H-ピラジノ[1,2-b]イソキノリン-12-カルボアルデヒド
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: C24H32N2O8
Molecular formula furigana: C24-H32-N2-O8
Molecular weight: 476.526
InChI: InChI=1S/C24H32N2O8/c1-11-20(32-5)13-8-15-14-7-12(9-27)18(26(14)23(31)34-24(2,3)4)22(30)25(15)16(10-28)17(13)19(29)21(11)33-6/h9,12,14-16,18,28-29H,7-8,10H2,1-6H3/t12-,14+,15-,16-,18-/m0/s1
InChI key: GJWDGRAGOPIYBF-LACBEWGXSA-N
SMILES: COc1c(C)c(OC)c2C[C@H]3[C@H]4C[C@@H](C=O)[C@H](N4C(=O)OC(C)(C)C)C(=O)N3[C@@H](CO)c2c1O
Systematic name  (3):
  • (1R,12R)-1β,3β-エタノ-2-(tert-ブチルオキシカルボニル)-4-オキソ-6β-(ヒドロキシメチル)-7-ヒドロキシ-8,10-ジメトキシ-9-メチル-1,3,4,6,11,11aα-ヘキサヒドロ-2H-ピラジノ[1,2-b]イソキノリン-12-カルボアルデヒド
  • tert-ブチル (1R,2S,10R,13S,14R)-14-ホルミル-8-ヒドロキシ-10-(ヒドロキシメチル)-5,7-ジメトキシ-6-メチル-12-オキソ-11,16-ジアザテトラシクロ[11.2.1.02,11.04,9]ヘキサデカ-4,6,8-トリエン-16-カルボキシラート
  • tert-butyl (1R,2S,10R,13S,14R)-14-formyl-8-hydroxy-10-(hydroxymethyl)-5,7-dimethoxy-6-methyl-12-oxo-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,6,8-triene-16-carboxylate
Other name (1):
  • (1R,12R)-1β,3β-Ethano-2-(tert-butyloxycarbonyl)-4-oxo-6β-(hydroxymethyl)-7-hydroxy-8,10-dimethoxy-9-methyl-1,3,4,6,11,11aα-hexahydro-2H-pyrazino[1,2-b]isoquinoline-12-carbaldehyde
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