2-(6-{6-[1-Ethyl-4-(1H-Pyrrol-2-Ylcarbonyl)-2,3,3A,4,5,7A-Hexahydro-1H-Inden-5-Yl]-3,5-Hexadien-3-Yl}-5-Methyltetrahydro-2H-Pyran-2-Yl)Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H43NO4 |
| IUPAC Name | (2r)-2-[(2r,5s,6r)-6-[(1e,3e)-4-[(1s,3ar,4s,5s,7as)-1-ethyl-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]propanoic acid |
| Molecular Mass | 493.677 g·mol−1 |
| Heat of Formation | 3910.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.11 ± 1.08 D |
| Volume | 510.7 Å 3 |
| Surface Area | 416.81 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | -2.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BAIPOTOKPGDCHA-UFTDHFPLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |