(11β)-11,17,20-Trihydroxy-3-Oxopregna-1,4-Dien-21-Oic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H28O6 |
| IUPAC Name | (2s)-2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-acetic acid |
| Molecular Mass | 376.443 g·mol−1 |
| Heat of Formation | -1107.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.01 ± 1.08 D |
| Volume | 439.82 Å 3 |
| Surface Area | 342.25 Å 2 |
| HOMO Energy | -9.74 ± 0.55 eV |
| LUMO Energy | -0.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MABTYSTXQLOOCI-IRKVWFEKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |