Chem
J-GLOBAL ID：201007005087646052   Nikkaji number：J2.843.399I

4aα-[3-Methoxy-4-(benzyloxy)phenyl]-6,8-dimethoxy-1,2,3,4,4a,8aα-hexahydroisoquinoline-1α-carboxylic acid ethyl ester

4aα-[3-メトキシ-4-(ベンジルオキシ)フェニル]-6,8-ジメトキシ-1,2,3,4,4a,8aα-ヘキサヒドロイソキノリン-1α-カルボン酸エチル
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： C28H33NO6
Molecular formula furigana： C28-H33-N-O6
Molecular weight： 479.573
InChI： InChI=1S/C28H33NO6/c1-5-34-27(30)26-25-24(33-4)16-21(31-2)17-28(25,13-14-29-26)20-11-12-22(23(15-20)32-3)35-18-19-9-7-6-8-10-19/h6-12,15-17,25-26,29H,5,13-14,18H2,1-4H3/t25-,26+,28-/m0/s1
InChI key： SOAGHLXZBSEVDD-REUBFRLUSA-N
SMILES： CCOC(=O)[C@@H]1NCC[C@]2(C=C(OC)C=C(OC)[C@@H]12)c1ccc(OCc2ccccc2)c(OC)c1
Systematic name  (3)：
  • 4aα-[3-メトキシ-4-(ベンジルオキシ)フェニル]-6,8-ジメトキシ-1,2,3,4,4a,8aα-ヘキサヒドロイソキノリン-1α-カルボン酸エチル
  • エチル (1R,4aR,8aR)-4a-[4-(ベンジルオキシ)-3-メトキシフェニル]-6,8-ジメトキシ-1,2,3,4,4a,8a-ヘキサヒドロイソキノリン-1-カルボキシラート
  • ethyl (1R,4aR,8aR)-4a-[4-(benzyloxy)-3-methoxyphenyl]-6,8-dimethoxy-1,2,3,4,4a,8a-hexahydroisoquinoline-1-carboxylate
Other name (1)：
  • 4aα-[3-Methoxy-4-(benzyloxy)phenyl]-6,8-dimethoxy-1,2,3,4,4a,8aα-hexahydroisoquinoline-1α-carboxylic acid ethyl ester
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