Methyl (1S,2R,3R,4S,5S,8R,9S,10R,13R,15S,16S)-3,4,10-Trihydroxy-1,16-Dimethyl-11,19-Dioxo-6,12,20-Trioxahexacyclo[13.7.0.0~2,8~.0~5,9~.0~8,13~.0~17,21~]Docosa-17,21-Diene-5-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C23H26O10 |
| IUPAC Name | methyl (1s,2r,3r,4s,5s,8r,9s,10r,13r,15s,16s)-3,4,10-trihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.0 2,8 .0 5,9 .0 8,13 .0 17,21 ]docosa-17,21-diene-5-carboxylate |
| Molecular Mass | 462.447 g·mol−1 |
| Heat of Formation | -1573.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.60 ± 1.08 D |
| Volume | 491.67 Å 3 |
| Surface Area | 378.0 Å 2 |
| HOMO Energy | -9.73 ± 0.55 eV |
| LUMO Energy | -1.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NPWJHTWCKHUSAM-KLBQZTJOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |