(3β)-Lup-20(29)-En-3-Yl (2E)-3-(3,4-Dihydroxyphenyl)Acrylate

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Formula C39H56O4
IUPAC Name [(1r,3ar,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Mass 588.860 g·mol−1
Heat of Formation -840.8 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 758.0 Å 3
Surface Area 566.08 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey NIKLINODNHPPMX-HBWVHPEESA-N
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Elements H C O