(3β,16Alpha,17β)-16-Hydroxy-17-{(1S)-1-[(2R,5S)-5-Methyl-2-Piperidinyl]Ethyl}Androst-5-En-3-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C33H55NO7
IUPAC Name 2-[[16-hydroxy-10,13-dimethyl-17-[1-(5-methyl-2-piperidyl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 577.792 g·mol−1
Heat of Formation -1533.8 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 713.55 Å 3
Surface Area 534.0 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
InChIKey LXITVHCOOLDNBB-GYWZVLCCSA-N
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