(5β,8Xi,9Xi,16β)-16-Acetoxy-5-(β-D-Glycero-Hexopyranosyloxy)-14-Hydroxy-19-Oxobufa-3,20,22-Trienolide

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Formula C32H43O12+
IUPAC Name [(5s,8s,9r,10s,13r,14s,16s,17r)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-5-[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-16-yl] acetate
Molecular Mass 619.677 g·mol−1
Heat of Formation -2054.9 ± 16.7 kJ·mol−1
Dipole Moment 11.37 ± 1.08 D
Volume 702.37 Å 3
Surface Area 518.71 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey DDAAWSFCUWNNES-AWJABXAYSA-N
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Elements H C O