(1S,3S,7R,10S,11R,12S,16S)-7,11-Dihydroxy-8,8,10,12,16-Pentamethyl-3-[(1E)-1-(2-Methyl-1,3-Thiazol-4-Yl)-1-Propen-2-Yl]-4,17-Dioxabicyclo[14.1.0]Heptadecane-5,9-Dione
Properties
| Property | Value |
|---|---|
| Formula | C27H41NO6S |
| IUPAC Name | (1s,3s,7r,10s,11r,12s,16s)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(e)-1-methyl-2-(2-methyl-5h-thiazol-3-ium-5-id-4-yl)vinyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione |
| Molecular Mass | 507.683 g·mol−1 |
| Heat of Formation | -1093.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.84 ± 1.08 D |
| Volume | 636.31 Å 3 |
| Surface Area | 475.92 Å 2 |
| HOMO Energy | -8.97 ± 0.55 eV |
| LUMO Energy | 2.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QXRSDHAAWVKZLJ-TYFQHMATSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |