(3β,4β,5β)-3-Hydroxypregn-20-En-4-Yl 2-O-Acetyl-6-Deoxy-3-O-Methyl-Alpha-L-Galactopyranoside

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Formula C30H48O7
IUPAC Name [(2s,3s,4r,5r,6s)-5-hydroxy-2-[[(3s,4r,5s,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-17-vinyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-4-yl]oxy]-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate
Molecular Mass 520.698 g·mol−1
Heat of Formation -1476.9 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 652.93 Å 3
Surface Area 481.95 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
InChIKey GKECJXKITDFENW-IPYAJTQTSA-N
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