(1R,2S,4R,5R,8R,9S,11S)-2-{[(6-Deoxy-4-O-Methyl-β-D-Altropyranosyl)Oxy]Methyl}-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.0~2,11~.0~4,8~]Tridecane-1-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H42O8 |
| IUPAC Name | (1r,2s,4r,5r,8r,9s,11s)-2-{[(6-deoxy-4-o-methyl-β-d-altropyranosyl)oxy]methyl}-9-formyl-13-isopropyl-5-methyltetracyclo[7.4.0.0 2,11 .0 4,8 ]tridecane-1-carboxylic acid |
| Molecular Mass | 494.618 g·mol−1 |
| Heat of Formation | -1516.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.12 ± 1.08 D |
| Volume | 598.54 Å 3 |
| Surface Area | 450.86 Å 2 |
| HOMO Energy | -9.66 ± 0.55 eV |
| LUMO Energy | 3.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DIBGPTPYRVEPSP-UMPNPEABSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |