(2β,3β)-2,23-Dihydroxy-30-Methoxy-30-Oxo-3-(β-D-Xylopyranosyloxy)Olean-12-En-28-Oic Acid

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Formula C36H56O11
IUPAC Name (2s,4ar,6ar,6as,6br,8ar,9r,10r,11s,12ar,14bs)-11-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-10-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 664.823 g·mol−1
Heat of Formation -2287.0 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 785.08 Å 3
Surface Area 548.98 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 1.04 ± eV
Point Group Symmetry C1
InChIKey SFZVDNKTWPZIJG-JLUHPNADSA-N
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