2,4-Dihydroxy-3-{[3-(13-Hydroxy-3,10-Dimethyl-4-Oxo-11-Oxapentacyclo[7.2.1.1~7,10~.0~1,9~.0~2,7~]Tridec-5-En-3-Yl)Propanoyl]Amino}Benzoic Acid
Properties
Property | Value |
---|---|
Formula | C24H25NO8 |
IUPAC Name | 2,4-dihydroxy-3-{[3-(13-hydroxy-3,10-dimethyl-4-oxo-11-oxapentacyclo[7.2.1.1 7,10 .0 1,9 .0 2,7 ]tridec-5-en-3-yl)propanoyl]amino}benzoic acid |
Molecular Mass | 455.457 g·mol−1 |
Heat of Formation | -961.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.41 ± 1.08 D |
Volume | 503.8 Å 3 |
Surface Area | 410.75 Å 2 |
HOMO Energy | -8.98 ± 0.55 eV |
LUMO Energy | -0.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | TUHIUIGYYSZKCN-ACYPNERUSA-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 |