1-O-[(2α,3Beta,19α)-2,3,19,24-Tetrahydroxy-28-Oxoolean-12-En-28-Yl]-Beta-D-Glucopyranose

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Formula C36H36O11
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1s,4ar,6ar,6as,6br,8ar,9s,10r,11r,12ar,14bs)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Mass 644.664 g·mol−1
Heat of Formation -2308.7 ± 16.7 kJ·mol−1
Dipole Moment 7.87 ± 1.08 D
Volume 790.95 Å 3
Surface Area 562.96 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
InChIKey CMZFNIMQBCBHEX-JRIAKSEUSA-N
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