(2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13S,16E,18E)-19-Carboxy-17-Ethyl-4,8-Dihydroxy-3,7,11,13-Tetramethyl-6-Oxo-16,18-Nonadecadien-2-Yl]Oxy}-1-Hydroxy-3-Oxopropyl]-3-Methyl-2-Butenedioic Acid
Properties
| Property | Value |
|---|---|
| Formula | C34H54O12 |
| IUPAC Name | (z)-2-[(1r)-3-[(1r,2s,3r,6s,7s,10s,12s,15e,17e)-18-carboxy-16-ethyl-3,7-dihydroxy-1,2,6,10,12-pentamethyl-5-oxo-octadeca-15,17-dienoxy]-1-hydroxy-3-oxo-propyl]-3-methyl-but-2-enedioic acid |
| Molecular Mass | 654.785 g·mol−1 |
| Heat of Formation | -2499.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.58 ± 1.08 D |
| Volume | 835.94 Å 3 |
| Surface Area | 703.25 Å 2 |
| HOMO Energy | -9.61 ± 0.55 eV |
| LUMO Energy | 1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AJNPGMLYFPAQEA-YYTMOYMQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |