(3β,5β)-5,14-Dihydroxy-19-Oxo-3-(Pentopyranosyloxy)Card-20(22)-Enolide

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Formula C28H40O10
IUPAC Name (3s,5r,8r,9s,10s,13r,14r,17r)-5,14-dihydroxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-3-[(2r,3r,4r,5s)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 536.611 g·mol−1
Heat of Formation -1834.5 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 614.56 Å 3
Surface Area 470.82 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
InChIKey XMNREHIXCIWCGI-RNKDYXEZSA-N
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Elements H C O