Methyl 1,3-Dihydroxycholan-24-Oate
Properties
| Property | Value |
|---|---|
| Formula | C25H42O4 |
| IUPAC Name | methyl (4r)-4-[(1r,3r,5r,8s,9s,10s,13r,14s,17r)-1,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Molecular Mass | 406.599 g·mol−1 |
| Heat of Formation | -1062.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.38 ± 1.08 D |
| Volume | 526.46 Å 3 |
| Surface Area | 403.14 Å 2 |
| HOMO Energy | -9.93 ± 0.55 eV |
| LUMO Energy | 1.10 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OKPBKPSSYICCDG-BHXNSSJQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |