(6As)-8-(4-{[(1S)-6-Hydroxy-7-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-1-Isoquinolinyl]Methyl}Phenoxy)-1,2,3,10-Tetramethoxy-6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinolin-9-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C39H37N2O8
IUPAC Name (6as)-8-[4-[[(1s)-6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-1-yl]methyl]phenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-9-ol
Molecular Mass 661.720 g·mol−1
Heat of Formation -936.3 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 798.88 Å 3
Surface Area 556.46 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-dibenzo(de,g)quinolin-9-ol, 5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-8-(4-((1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (s-(r*,r*))-
  • 6',8-desmethylthalifaberine
  • thalifaberidine
CAS Number(s)
  • 160568-13-8
InChIKey ASHXFBBPKYCWEY-VMPREFPWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N