3-{[(2-Carboxycyclohexyl)Carbonyl]Oxy}-11-Oxoolean-12-En-29-Oic Acid

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Formula C38H56O7
IUPAC Name (2s,4as,6ar,6as,6br,8ar,10s,12as,14br)-10-[(1s,2r)-2-carboxycyclohexanecarbonyl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1h-picene-2-carboxylic acid
Molecular Mass 624.847 g·mol−1
Heat of Formation -1573.3 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 763.9 Å 3
Surface Area 544.78 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
InChIKey IPIHZIYZLLMCRF-RMJAPLPPSA-N
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