(3S,3'S,5R,5'R,6'S,9'Cis)-6,7-Didehydro-5,5',6,6'-Tetrahydro-5',6'-Epoxy-β,β-Carotene-3,3',5-Triol

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Formula C40H56O4
IUPAC Name (1r,3s)-6-[(3e,5e,7e,9e,11e,13e,15z,17e)-18-[(1r,3s,6s)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol
Molecular Mass 600.870 g·mol−1
Heat of Formation -456.6 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 827.35 Å 3
Surface Area 668.1 Å 2
HOMO Energy -7.94 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey PGYAYSRVSAJXTE-BHRZHBMUSA-N
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