Methyl (3α,5Beta,7α,12α,24E)-3,7,12-Trihydroxycholest-24-En-26-Oate
Properties
| Property | Value |
|---|---|
| Formula | C28H46O5 |
| IUPAC Name | methyl (e,6r)-2-methyl-6-[(3r,5r,7r,8r,9s,10s,12r,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]hept-2-enoate |
| Molecular Mass | 462.662 g·mol−1 |
| Heat of Formation | -1167.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.13 ± 1.08 D |
| Volume | 597.83 Å 3 |
| Surface Area | 458.97 Å 2 |
| HOMO Energy | -9.84 ± 0.55 eV |
| LUMO Energy | 0.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SZDHRKMCESZUCV-BINATSJQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |