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

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Formula C27H42NO7S
IUPAC Name (1s,3s,7s,10r,11s,12s,16r)-7,11-dihydroxy-3-[(e)-2-[2-(hydroxymethyl)-5h-thiazol-3-ium-5-id-4-yl]-1-methyl-vinyl]-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Mass 524.690 g·mol−1
Heat of Formation -1280.6 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 640.75 Å 3
Surface Area 449.66 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-1,5,7,9,9-pentamethyl-14-[(e)-1-methyl-2-(2-methylolthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-14-[(e)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-1,5,7,9,9-pentamethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-14-[(e)-2-[2-(hydroxymethyl)-4-thiazolyl]-1-methylvinyl]-1,5,7,9,9-pentamethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-14-[(e)-2-[2-(hydroxymethyl)thiazol-4-yl]-1-methyl-vinyl]-1,5,7,9,9-pentamethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
InChIKey UKIMCRYGLFQEOE-RGJAOAFDSA-N
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