(8Xi,9Xi,14Xi,17Xi)-3-Hydroxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-17-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C26H32O8 |
| IUPAC Name | (2s,3r,4s,5r,6s)-6-[[(8s,9s,13s,14r,17r)-17-ethynyl-13-methyl-3-oxido-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trioxido-tetrahydropyran-2,3-diide-2-carboxylate |
| Molecular Mass | 472.527 g·mol−1 |
| Heat of Formation | -1239.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.75 ± 1.08 D |
| Volume | 550.84 Å 3 |
| Surface Area | 424.33 Å 2 |
| HOMO Energy | -8.72 ± 0.55 eV |
| LUMO Energy | 3.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SQQXJBRONRGLRT-JPHSCAGOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |