12-Acetoxy-3,14,17-Trihydroxypregnan-20-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C30H42O7 |
| IUPAC Name | [(1s)-1-[(3s,5s,8r,9s,10s,12r,13s,14s,17r)-12-acetoxy-3,14,17-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl] benzoate |
| Molecular Mass | 514.650 g·mol−1 |
| Heat of Formation | 2157.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.34 ± 1.08 D |
| Volume | 476.2 Å 3 |
| Surface Area | 399.37 Å 2 |
| HOMO Energy | -9.71 ± 0.55 eV |
| LUMO Energy | -0.72 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MIOQFHJTRPQSEN-IGYHAGNPSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |