2,4-Dihydroxy-3-({3-[(1R,5S,6R,8R,11R)-11-Hydroxy-5-Methyl-9-Methylene-4-Oxotricyclo[6.2.2.0~1,6~]Dodec-2-En-5-Yl]Propanoyl}Amino)Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H27NO7 |
| IUPAC Name | 2,4-dihydroxy-3-[3-[(1r,5s,6r,8r,11r)-11-hydroxy-5-methyl-9-methylene-4-oxo-5-tricyclo[6.2.2.01,6]dodec-2-enyl]propanoylamino]benzoic acid |
| Molecular Mass | 441.474 g·mol−1 |
| Heat of Formation | -1141.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.92 ± 1.08 D |
| Volume | 504.79 Å 3 |
| Surface Area | 416.98 Å 2 |
| HOMO Energy | -8.88 ± 0.55 eV |
| LUMO Energy | 2.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KCPPASJQWABQQM-XLJNEENLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |