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

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Formula C30H42NO6S
IUPAC Name (1s,3s,7s,10r,11s,12s,16r)-10-allyl-7,11-dihydroxy-8,8,12,16-tetramethyl-3-(2-methyl-6h-1,3-benzothiazol-3-ium-6-id-5-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Molecular Mass 544.723 g·mol−1
Heat of Formation -997.4 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 668.04 Å 3
Surface Area 485.5 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5s,6s,7r,10s,14s,16s)-6,10-dihydroxy-1,5,9,9-tetramethyl-14-(2-methyl-1,3-benzothiazol-5-yl)-7-prop-2-enyl-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-7-allyl-6,10-dihydroxy-1,5,9,9-tetramethyl-14-(2-methyl-1,3-benzothiazol-5-yl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
  • (1r,5s,6s,7r,10s,14s,16s)-7-allyl-6,10-dihydroxy-1,5,9,9-tetramethyl-14-(2-methyl-1,3-benzothiazol-5-yl)-13,17-dioxabicyclo[14.1.0]heptadecane-8,12-quinone
InChIKey BFZKMNSQCNVFGM-UCEYFQQTSA-N
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