(3β,20β)-3,20-Dihydroxyursan-28-Oic Acid

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Formula C30H44O4
IUPAC Name (1r,2r,4ar,6ar,6ar,6br,8ar,10s,12ar,14ar,14br)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
Molecular Mass 468.668 g·mol−1
Heat of Formation -1124.8 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 598.9 Å 3
Surface Area 423.82 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 4.01 ± eV
Point Group Symmetry C1
InChIKey WJCIWKNYROGCFD-XOVAVQBPSA-N
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Elements H C O