2,3,3-Trihydroxypregnan-1-One
Properties
| Property | Value |
|---|---|
| Formula | C21H34O4 |
| IUPAC Name | (2r,5r,8s,9s,10s,13r,14s,17s)-17-ethyl-2,3,3-trihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-2h-cyclopenta[a]phenanthren-1-one |
| Molecular Mass | 350.492 g·mol−1 |
| Heat of Formation | -994.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.40 ± 1.08 D |
| Volume | 445.13 Å 3 |
| Surface Area | 343.24 Å 2 |
| HOMO Energy | -9.79 ± 0.55 eV |
| LUMO Energy | 0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XTCDEWKWOBMZDR-SQZIYUPFSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |