Methyl [(1S,3R,4S,7R,8S,9S,11S,14S,16R,17R,20S,22R,23R,27S)-4,9,11,19,19-Pentamethyl-5,10,24-Trioxo-2,6,18,25,26-Pentaoxaoctacyclo[12.10.1.1~1,8~.1~16,22~.0~3,7~.0~11,27~.0~14,23~.0~16,20~]Heptacos-17-Yl]Acetate
Properties
| Property | Value |
|---|---|
| Formula | C30H38O10 |
| IUPAC Name | methyl [(1s,3r,4s,7r,8s,9s,11s,14s,16r,17r,20s,22r,23r,27s)-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25,26-pentaoxaoctacyclo[12.10.1.1 1,8 .1 16,22 .0 3,7 .0 11,27 .0 14,23 .0 16,20 ]heptacos-17-yl]acetate |
| Molecular Mass | 558.617 g·mol−1 |
| Heat of Formation | -1757.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.68 ± 1.08 D |
| Volume | 639.99 Å 3 |
| Surface Area | 469.39 Å 2 |
| HOMO Energy | -9.88 ± 0.55 eV |
| LUMO Energy | 3.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WBQRNKRTGAKXNI-DATCFSHWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |