(11S,12R,12As,13Ar)-2-Hydroxy-3-Methoxy-8-Oxo-12-Vinyl-5,11,12,12A,13,13A-Hexahydro-6H,8H-Pyrano[4',3':4,5]Pyrido[2,1-A]Isoquinolin-11-Yl β-D-Glucopyranoside

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Formula C25H31NO10
IUPAC Name (11s,12r,12as,13ar)-2-hydroxy-3-methoxy-8-oxo-12-vinyl-5,11,12,12a,13,13a-hexahydro-6h,8h-pyrano[4',3':4,5]pyrido[2,1-a]isoquinolin-11-yl β-d-glucopyranoside
Molecular Mass 505.514 g·mol−1
Heat of Formation -1585.9 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 568.14 Å 3
Surface Area 471.82 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 34482-51-4
InChIKey BCYNGTTVQNJTCV-MDXCLUIBSA-N
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