(3'S,6R)-3'-Hydroxy-4,4'-Didehydro-6,6'-Dihydro-β,β-Caroten-3-One
Properties
| Property | Value |
|---|---|
| Formula | C40H54O2 |
| IUPAC Name | (4r)-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-18-[(1s,4s)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-one |
| Molecular Mass | 566.856 g·mol−1 |
| Heat of Formation | -137.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.91 ± 1.08 D |
| Volume | 808.59 Å 3 |
| Surface Area | 680.63 Å 2 |
| HOMO Energy | -7.96 ± 0.55 eV |
| LUMO Energy | -0.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OTHWKRBAHPOBSP-LEHWHMNQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |