Chem
J-GLOBAL ID：200907026732654452   Nikkaji number：J2.392.460I

N-Demethylberbamunine

N-デメチルベルバムニン
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： C35H38N2O6
Molecular formula furigana： C35-H38-N2-O6
Molecular weight： 582.697
InChI： InChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1
InChI key： MLNXJBWXCQOCIN-URLMMPGGSA-N
SMILES： COc1cc2CCN[C@@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O
Systematic name  (3)：
  • (1S)-1,2,3,4-テトラヒドロ-1-[4-[2-ヒドロキシ-5-[[(1R)-1,2,3,4-テトラヒドロ-7-ヒドロキシ-6-メトキシ-2-メチルイソキノリン-1-イル]メチル]フェノキシ]ベンジル]-6-メトキシ-7-イソキノリノール
  • (1R)-1-{[4-ヒドロキシ-3-(4-{[(1S)-7-ヒドロキシ-6-メトキシ-1,2,3,4-テトラヒドロイソキノリン-1-イル]メチル}フェノキシ)フェニル]メチル}-6-メトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-7-オール
  • (1R)-1-{[4-hydroxy-3-(4-{[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Other name (3)：
  • (1S)-1,2,3,4-Tetrahydro-1-[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methylisoquinoline-1-yl]methyl]phenoxy]benzyl]-6-methoxy-7-isoquinolinol
  • N-デメチルベルバムニン
  • N-Demethylberbamunine
KEGG COMPOUND： C06512
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM