(2β,3β,5Xi,18Alpha)-2,3,23-Trihydroxy-29-Methoxy-11,29-Dioxoolean-12-En-28-Oic Acid

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Formula C31H46O8
IUPAC Name (2r,4ar,6ar,6as,6br,8as,9r,10r,11s,12as,14br)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 546.692 g·mol−1
Heat of Formation -1645.5 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 648.42 Å 3
Surface Area 458.45 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 3.02 ± eV
Point Group Symmetry C1
InChIKey UDGHUYMQCJZOHS-SALRAJPTSA-N
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