3-[(1S,3S,8S,10R)-10-(2,3-Dihydroxy-3-Methylbutyl)-3-(2-Hydroxy-2-Propanyl)-9,9-Dimethyl-8-(2-Methylbutanoyl)-7,12-Dioxo-4-Oxatricyclo[6.3.1.0~1,5~]Dodec-5-En-6-Yl]Hexanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C32H50O9 |
| IUPAC Name | 3-[(1s,3s,8s,10r)-10-(2,3-dihydroxy-3-methylbutyl)-3-(2-hydroxy-2-propanyl)-9,9-dimethyl-8-(2-methylbutanoyl)-7,12-dioxo-4-oxatricyclo[6.3.1.0 1,5 ]dodec-5-en-6-yl]hexanoic acid |
| Molecular Mass | 578.734 g·mol−1 |
| Heat of Formation | -2007.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.73 ± 1.08 D |
| Volume | 729.55 Å 3 |
| Surface Area | 485.72 Å 2 |
| HOMO Energy | -9.34 ± 0.55 eV |
| LUMO Energy | 2.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YSPKJELXBZCMBB-KQNWILPUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |