Methyl (2R,3R,6R,8S,12S,13S,14S,15R,16R,17R)-3-{[(2E)-3,4-Dimethyl-2-Pentenoyl]Oxy}-12,15,16-Trihydroxy-9,13-Dimethyl-4,11-Dioxo-5,19-Dioxapentacyclo[12.5.0.0~1,6~.0~2,17~.0~8,13~]Nonadec-9-Ene-17-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C28H36O11 |
| IUPAC Name | methyl (2r,3r,6r,8s,12s,13s,14s,15r,16r,17s)-3-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,19-dioxapentacyclo[12.5.0.0 1,6 .0 2,17 .0 8,13 ]nonadec-9-ene-17-carboxylate |
| Molecular Mass | 548.579 g·mol−1 |
| Heat of Formation | -1912.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 618.16 Å 3 |
| Surface Area | 454.74 Å 2 |
| HOMO Energy | -10.05 ± 0.55 eV |
| LUMO Energy | 2.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LUENSCCBMNFJDY-JPYOMYBJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |