Chem
J-GLOBAL ID：200907046639949591   Nikkaji number：J410.486B

Dioncophylline A

ジオンコフィリンA
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： C24H27NO3
Molecular formula furigana： C24-H27-N-O3
Molecular weight： 377.484
InChI： InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3/t14-,15-/m1/s1
InChI key： MXIZZLBQRBAZEX-HUUCEWRRSA-N
SMILES： COc1cccc2c(c(C)cc(OC)c12)c1ccc2C[C@@H](C)N[C@H](C)c2c1O
Systematic name  (2)：
  • (1R)-7-[(aS)-4,5-ジメトキシ-2-メチル-1-ナフチル]-1,2,3,4-テトラヒドロ-1β,3α-ジメチルイソキノリン-8-オール
  • (1R)-7-[(aS)-2-メチル-4,5-ジメトキシ-1-ナフタレニル]-1β,3α-ジメチル-1,2,3,4-テトラヒドロイソキノリン-8-オール
Other name (4)：
  • ジオンコフィリンA
  • Dioncophylline A
  • (1R)-7-[(aS)-2-Methyl-4,5-dimethoxy-1-naphthalenyl]-1β,3α-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
  • (1R)-7-[(aS)-4,5-Dimethoxy-2-methyl-1-naphthyl]-1,2,3,4-tetrahydro-1β,3α-dimethylisoquinolin-8-ol
CAS registry number： 60142-17-8
KEGG COMPOUND： C12336
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