(3'E)-2'-Hydroxy-4-Oxo-3',4'-Didehydro-1',2'-Dihydro-β,Psi-Caroten-1'-Yl 6-O-(13-Methyltetradecanoyl)-Alpha-L-Idopyranoside

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Formula C61H92O9
IUPAC Name [(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2s,3e,5e,7e,9e,11e,13e,15e,17e,19e,21e,23e)-2-hydroxy-1,1,5,9,13,18,22-heptamethyl-24-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)tetracosa-3,5,7,9,11,13,15,17,19,21,23-undecaenoxy]tetrahydropyran-2-yl]methyl 13-methyltetradecanoate
Molecular Mass 969.378 g·mol−1
Heat of Formation -1706.7 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 1307.5 Å 3
Surface Area 1063.16 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey BUNXUZXQWPTVHM-CRAPJSHNSA-N
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