(3R,5R,6S,7Z,9E)-6,13-Dichloro-5,14,16-Trihydroxy-3-Methyl-3,4,5,6-Tetrahydro-1H-2-Benzoxacyclotetradecine-1,11(12H)-Dione
Properties
| Property | Value |
|---|---|
| Formula | C18H18Cl2O6 |
| IUPAC Name | (4s,6s,7r,8z,10e)-7,15-dichloro-6,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),8,10,15,17-pentaene-2,12-dione |
| Molecular Mass | 401.238 g·mol−1 |
| Heat of Formation | -1046.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.16 ± 1.08 D |
| Volume | 427.27 Å 3 |
| Surface Area | 319.97 Å 2 |
| HOMO Energy | -9.42 ± 0.55 eV |
| LUMO Energy | -0.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MQEXBOUTQRMRFJ-YBNGKKFHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Cl |