6-({[(11β)-11,17-Dihydroxy-3,20-Dioxopregna-1,4-Dien-21-Yl]Oxy}Carbonyl)-3-Cyclohexene-1-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C29H36O8 |
| IUPAC Name | (1r,6r)-6-[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-oxo-ethoxy]carbonylcyclohex-3-ene-1-carboxylic acid |
| Molecular Mass | 512.591 g·mol−1 |
| Heat of Formation | -1411.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.02 ± 1.08 D |
| Volume | 599.22 Å 3 |
| Surface Area | 460.42 Å 2 |
| HOMO Energy | -9.76 ± 0.55 eV |
| LUMO Energy | -0.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VNGWBSXDGQZSFL-GMCKKECTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |