(3α,12Beta,24Z)-12-(Beta-D-Glucopyranosyloxy)-3-Hydroxylanosta-7,9(11),24-Trien-26-Oic Acid

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Formula C36H56O9
IUPAC Name (z,6r)-6-[(3r,5r,10s,12r,13r,14s,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-12-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Molecular Mass 632.824 g·mol−1
Heat of Formation -1839.7 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 794.86 Å 3
Surface Area 571.67 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 3.07 ± eV
Point Group Symmetry C1
InChIKey HYENOYNGIQMHMH-BGUZYTSYSA-N
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