Methyl (16α,17α)-17-[(3,4,5-Trimethoxybenzoyl)Oxy]Yohimban-16-Carboxylate

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Formula C23H23N2O7
IUPAC Name methyl (1s,15r,18s,19r,20s)-18-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Mass 439.438 g·mol−1
Heat of Formation -947.5 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 649.47 Å 3
Surface Area 514.56 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
InChIKey WIWAJXWQEXVLAU-BRCJIFJXSA-N
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