(5α,18R)-17-(Cyclopropylmethyl)-18-[(2S)-2-Hydroxy-3,3-Dimethyl-2-Butanyl]-6-Methoxy-18,19-Dihydro-4,5-Epoxy-6,14-Ethenomorphinan-3-Ol

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Formula C29H35NO4
IUPAC Name (5alpha,18r)-17-(cyclopropylmethyl)-18-[(2s)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
Molecular Mass 461.593 g·mol−1
Heat of Formation -586.0 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 569.15 Å 3
Surface Area 411.45 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 3.37 ± eV
Point Group Symmetry C1
InChIKey RMRJXGBAOAMLHD-DKESKJCNSA-N
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