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

Molecule SVG Image

Properties Simple | Detailed

Formula C27H41NO5S
IUPAC Name (4r,7s,8r,9s,13z,16r)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(e)-1-methyl-2-(2-methyl-5h-thiazol-3-ium-5-id-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
Molecular Mass 491.683 g·mol−1
Heat of Formation -1002.4 ± 16.7 kJ·mol−1
Dipole Moment 3.62 ± 1.08 D
Volume 623.03 Å 3
Surface Area 470.97 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey XOZIUKBZLSUILX-UKMAFROXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N