(3R,5R)-3,5-Dihydroxy-7-[(1R,2R,6S,8S,8Ar)-3,5,6-Trihydroxy-2-Methyl-8-{[(2S)-2-Methylbutanoyl]Oxy}-1,2,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]Heptanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H38O9 |
| IUPAC Name | (3r,5r)-7-[(1r,2r,4as,5r,6s,8s,8ar)-3,5,6-trihydroxy-2-methyl-8-[(2s)-2-methylbutanoyl]oxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid |
| Molecular Mass | 458.542 g·mol−1 |
| Heat of Formation | -1966.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.94 ± 1.08 D |
| Volume | 561.79 Å 3 |
| Surface Area | 408.87 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | 0.78 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WELRIRULFRCLGJ-YWQXDCIKSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |