(12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-Oxolanosta-7,9(11),24-Trien-26-Oic Acid

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Formula C36H54O9
IUPAC Name (z,6r)-2-methyl-6-[(5r,10s,12r,13r,14s,17r)-4,4,10,13,14-pentamethyl-3-oxo-12-[(2s,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaid-2-yl]oxy-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoate
Molecular Mass 630.809 g·mol−1
Heat of Formation -1784.1 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 791.96 Å 3
Surface Area 557.9 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
InChIKey PNDYOWJOYGHQBU-ZRWQLAOJSA-N
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