4-{[(2R,3As,3Bs,5As,6R,8Br,10As)-2,6-Diethynyl-6-Hydroxy-3A,5A-Dimethylhexadecahydrodicyclopenta[A,F]Naphthalen-2-Yl]Oxy}-4-Oxobutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C26H34O5 |
| IUPAC Name | 4-[[(2r,3as,3bs,5as,6r,8ar,8br,10as)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxo-butanoic acid |
| Molecular Mass | 426.545 g·mol−1 |
| Heat of Formation | -681.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.70 ± 1.08 D |
| Volume | 483.91 Å 3 |
| Surface Area | 360.46 Å 2 |
| HOMO Energy | -10.07 ± 0.55 eV |
| LUMO Energy | 0.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QFWXVJBIZHFTCE-RWVSUVCLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |