(1β)-5,6,6',7,12-Pentamethoxy-2,2'-Dimethylberbaman

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Properties Simple | Detailed

Formula C39H44N2O7
IUPAC Name hernandezine
Molecular Mass 652.776 g·mol−1
Heat of Formation -684.8 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 783.96 Å 3
Surface Area 528.53 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-hernandezine
  • 16h-1,24:6,9-dietheno-11,15-metheno-2h-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-12,20,21,22,26-pentamethoxy-4,17-dimethyl-, (4as,16as)-
  • berbaman, 5,6,6',7,12-pentamethoxy-2,2'-dimethyl-, (1beta)-
  • hernandezine
CAS Number(s)
  • 6681-13-6
InChIKey FUZMQNZACIFDBL-KYJUHHDHSA-N
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