(1α)-6,7'-Dimethoxy-2,2'-Dimethylthalicberan-7,12-Diol

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Properties Simple | Detailed

Formula C36H38N2O6
IUPAC Name (1alpha)-6,7'-dimethoxy-2,2'-dimethylthalicberan-7,12-diol
Molecular Mass 594.697 g·mol−1
Heat of Formation -602.8 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 705.45 Å 3
Surface Area 508.31 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 7-o-demethylisothalicberine
  • 7odi
CAS Number(s)
  • 73711-14-5
InChIKey BGBOSPIDMGKYDH-WUFINQPMSA-N
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