(1S)-1-[4-(2-Hydroxy-5-{[(1R)-7-Hydroxy-6-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-1-Isoquinolinyl]Methyl}Phenoxy)Benzyl]-6-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-7-Isoquinolinol

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Properties Simple | Detailed

Formula C36H40N2O6
IUPAC Name (1s,2s)-1-[[4-[2-hydroxy-5-[[(1r,2r)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
Molecular Mass 596.713 g·mol−1
Heat of Formation -672.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 729.4 Å 3
Surface Area 514.42 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-[4-hydroxy-3-[4-[[(1s)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]benzyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (1r)-1-[[4-hydroxy-3-[4-[[(1s)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-ol
  • (1s)-1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1r)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
  • (1s)-1-[4-(2-hydroxy-5-{[(1r)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
  • berbamunine
CAS Number(s)
  • 485-18-7
InChIKey FDABVSXGAMFQQH-XZWHSSHBSA-N
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