2,4-Dihydroxy-3-({3-[(1S,5S,6R,8S,10S)-10-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-[(1s,5s,6r,8s,10s)-10-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 | -1141.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.11 ± 1.08 D |
Volume | 505.83 Å 3 |
Surface Area | 414.59 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | -0.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | FHLUNOXZZMCXBM-GFZIYMICSA-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 |