5-(4-Hydroxy-5-Methoxy-2-Methyl-1-Naphthyl)-3-(Hydroxymethyl)-8-Methoxy-1-Methyl-6(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C24H42NO5+
IUPAC Name 5-(4-hydroxy-5-methoxy-2-methyl-decalin-1,2,3,4,4a,5,6,7,8,8a-decaid-1-yl)-3-(hydroxymethyl)-8-methoxy-1-methyl-4,7-dihydro-2h-isoquinoline-1,3,4,4a,5,7,8,8a-octaid-6-one
Molecular Mass 424.594 g·mol−1
Heat of Formation -569.7 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 472.86 Å 3
Surface Area 389.57 Å 2
HOMO Energy -8.05 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-hydroxy-5-methoxy-2-methyl-1-naphthyl)-3-(hydroxymethyl)-8-methoxy-1-methyl-2h-isoquinolin-6-one
  • 5-(4-hydroxy-5-methoxy-2-methyl-1-naphthyl)-8-methoxy-1-methyl-3-methylol-2h-isoquinolin-6-one
  • 5-(4-hydroxy-5-methoxy-2-methyl-naphthalen-1-yl)-3-(hydroxymethyl)-8-methoxy-1-methyl-2h-isoquinolin-6-one
  • 5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-3-(hydroxymethyl)-8-methoxy-1-methyl-2h-isoquinolin-6-one
InChIKey GLXWCRYXYSFJPO-UHFFFAOYSA-N
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