2,4-Dihydroxy-3-({3-[(5S,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,6s,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 | -1155.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.28 ± 1.08 D |
Volume | 505.85 Å 3 |
Surface Area | 416.25 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | -0.75 ± eV |
Point Group Symmetry | C1 |
InChIKey | KCPPASJQWABQQM-HHCLXMFYSA-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 |