5-[(3S,5S,9R,10S,12R,13R,14R,17R)-12-(3-Carboxy-2-Methylpropyl)-3,8,12,14,17-Pentahydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-3-Methylhexanoic Acid (Non-Preferred Name)
Properties
| Property | Value |
|---|---|
| Formula | C31H52O10 |
| IUPAC Name | carbon dioxide; (1e)-25-ethynyl-14,21,26-trimethylene-18,23,27-trioxabicyclo[15.11.0]octacos-1(17)-en-3,7,9,12,15,19-hexayne-2,5,6,11,22-pentone |
| Molecular Mass | 584.739 g·mol−1 |
| Heat of Formation | 2418.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.63 ± 1.08 D |
| Volume | 611.73 Å 3 |
| Surface Area | 503.12 Å 2 |
| HOMO Energy | -9.16 ± 0.55 eV |
| LUMO Energy | -2.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OTZYYNTXVLTKKL-IOPMRHFESA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |