3-[(6-Deoxyhexopyranosyl)Oxy]-14,19-Dihydroxycard-20(22)-Enolide

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Formula C29H44O9
IUPAC Name (2r,3r,4r,5s,6r)-2-[[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2h-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate
Molecular Mass 536.654 g·mol−1
Heat of Formation -1824.5 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 628.89 Å 3
Surface Area 462.61 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
InChIKey WPVGSIBYLZQSIK-AABBXQGPSA-N
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