(3α,5Beta,7α,12α)-3,7,12,22-Tetrahydroxycholestan-26-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C27H46O6 |
| IUPAC Name | (2r,5s,6s)-5-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,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]heptanoic acid |
| Molecular Mass | 466.651 g·mol−1 |
| Heat of Formation | -1475.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.35 ± 1.08 D |
| Volume | 592.76 Å 3 |
| Surface Area | 456.5 Å 2 |
| HOMO Energy | -10.09 ± 0.55 eV |
| LUMO Energy | 3.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MDFNVHMQCZHMCN-KHDBQBCYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |