13A.α.-Berbin-1-Ol, 2,3,9,10-Tetramethoxy-

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Formula C21H25NO5
IUPAC Name (7r,13as)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino[2,1-b]isoquinolin-1-ol
Molecular Mass 371.427 g·mol−1
Heat of Formation -603.0 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 433.85 Å 3
Surface Area 372.29 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-capaurine
  • (13as)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5h-isoquinolino[2,1-b]isoquinolin-1-ol
  • 13a-alpha-berbin-1-ol, 2,3,9,10-tetramethoxy- (8ci)
  • 13aalpha-berbin-1-ol, 2,3,9,10-tetramethoxy- (8ci)
  • 2,3,9,10-tetramethoxy-13a-alpha-berbin-1-ol
  • 6h-dibenzo(a,g)quinolizin-1-ol, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, (s)- (9ci)
  • capaurine
  • l-capaurine
CAS Number(s)
  • 478-14-8
InChIKey GSPIMPLJQOCBFY-HNNXBMFYSA-N
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