(5Xi,18α,22Beta)-24-Hydroxy-22-{[(2E)-2-Methyl-2-Butenoyl]Oxy}-3-Oxoolean-12-En-28-Oic Acid

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Formula C35H68O6
IUPAC Name (4r,4as,6ar,6as,6br,9s,12ar,14br)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(e)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 607.086 g·mol−1
Heat of Formation 686.0 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 670.46 Å 3
Surface Area 496.35 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
InChIKey NZQARWYKOBSGNY-OYZOSZSFSA-N
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