(1S,3S,7R,10S,11R,12S,16S)-7,11-Dihydroxy-8,8,10,12,16-Pentamethyl-3-[(1E)-1-(2-Methyl-1,3-Thiazol-4-Yl)-1-Propen-2-Yl]-4,17-Dioxabicyclo[14.1.0]Heptadecane-5,9-Dione

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Formula C27H42NO6S
IUPAC Name (1s,3s,7r,10s,11r,12s,16s)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(e)-1-methyl-2-(2-methyl-5h-thiazol-3-ium-5-id-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Mass 508.690 g·mol−1
Heat of Formation -1093.5 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 636.31 Å 3
Surface Area 475.92 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey QXRSDHAAWVKZLJ-TYFQHMATSA-N
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