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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H36F3NO5S
IUPAC Name (4s,7r,8s,9s,10e,13e,16s)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13-(trifluoromethyl)-1-oxacyclohexadeca-10,13-diene-2,6-dione
Molecular Mass 543.639 g·mol−1
Heat of Formation -1517.7 ± 16.7 kJ·mol−1
Dipole Moment 5.76 ± 1.08 D
Volume 636.09 Å 3
Surface Area 478.94 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,7r,8s,9s,10e,13e,16s)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(e)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13-(trifluoromethyl)-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13e,16s)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(e)-1-methyl-2-(2-methyl-4-thiazolyl)vinyl]-13-(trifluoromethyl)-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13e,16s)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13-(trifluoromethyl)-1-oxacyclohexadeca-10,13-diene-2,6-dione
  • (4s,7r,8s,9s,10e,13e,16s)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(e)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-13-(trifluoromethyl)-1-oxacyclohexadeca-10,13-diene-2,6-quinone
  • kos-1591
InChIKey AUZFRDWTLAUNIR-ZIXYPWDKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S