2,4-Dihydroxy-3-({3-[(1S,5S,6R,8S,9R)-9-Hydroxy-5,9-Dimethyl-4-Oxotricyclo[6.2.2.0~1,6~]Dodec-2-En-5-Yl]Propanoyl}Amino)Benzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H29NO7 |
| IUPAC Name | 2,4-dihydroxy-3-({3-[(1s,5s,6r,8s,9r)-9-hydroxy-5,9-dimethyl-4-oxotricyclo[6.2.2.0 1,6 ]dodec-2-en-5-yl]propanoyl}amino)benzoic acid |
| Molecular Mass | 443.490 g·mol−1 |
| Heat of Formation | -1256.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.01 ± 1.08 D |
| Volume | 517.28 Å 3 |
| Surface Area | 413.22 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -0.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PNAZDWJMYGFNNJ-NAXDPANMSA-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 |