(4S,7R,8S,9S,10E,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-Pentamethyl-16-[(1E)-1-(2-Methyl-1,3-Thiazol-4-Yl)-1-Propen-2-Yl]Oxacyclohexadeca-10,13-Diene-2,6-Dione

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Formula C27H39NO5S
IUPAC Name (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-3-ium-4-yl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
Molecular Mass 489.667 g·mol−1
Heat of Formation -884.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 613.83 Å 3
Surface Area 458.86 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-quinone
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13z,16s)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadeca-10,13-diene-2,6-quinone
InChIKey XAYAKDZVINDZGB-BMVMHAJPSA-N
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