B-Codeine

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Formula C18H21NO3
IUPAC Name (3s,4r,7s,7ar,12bs)-9-methoxy-3-methyl-2,4,6,7,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Molecular Mass 299.364 g·mol−1
Heat of Formation -313.2 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 348.96 Å 3
Surface Area 287.92 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 467-14-1
InChIKey NNDKZTBFZTWKLA-QISBLDNZSA-N
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