(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-Tetramethyl-4,17-Dioxabicyclo[14.1.0]Heptadecane-5,9-Dione

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Formula C26H39NO7S
IUPAC Name (1s,3s,7s,10r,11s,12s,16r)-7,11-dihydroxy-3-[(e)-2-[2-(hydroxymethyl)thiazol-4-yl]-1-methyl-vinyl]-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Mass 509.655 g·mol−1
Heat of Formation -1172.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 620.46 Å 3
Surface Area 467.57 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (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]-5,7,9,9-tetramethyl-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]-5,7,9,9-tetramethyl-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]-5,7,9,9-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-5,7,9,9-tetramethyl-14-[(e)-1-methyl-2-(2-methylolthiazol-4-yl)vinyl]-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone
InChIKey FCCNKYGSMOSYPV-OKOHHBBGSA-N
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