11,21,21-Trihydroxy-3,20-Dioxopregna-1,4-Dien-17-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C28H32O7 |
| IUPAC Name | [(8s,9s,10r,11s,13s,14s,17r)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] benzoate |
| Molecular Mass | 480.549 g·mol−1 |
| Heat of Formation | -1096.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.48 ± 1.08 D |
| Volume | 560.66 Å 3 |
| Surface Area | 427.28 Å 2 |
| HOMO Energy | -9.82 ± 0.55 eV |
| LUMO Energy | 2.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WOTRZIGJOBXZSH-XIAGMOHFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |