(8Xi,9Xi,14Xi)-17-Oxoandrosta-3,5-Dien-3-Yl β-D-Glucopyranosiduronic Acid
Properties
| Property | Value |
|---|---|
| Formula | C25H34O8 |
| IUPAC Name | (2s,3s,4s,5r,6s)-6-[[(8r,9s,10r,13s,14s)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid |
| Molecular Mass | 462.533 g·mol−1 |
| Heat of Formation | -1455.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.67 ± 1.08 D |
| Volume | 545.9 Å 3 |
| Surface Area | 428.2 Å 2 |
| HOMO Energy | -8.58 ± 0.55 eV |
| LUMO Energy | 3.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JXLRWYMABLHQLZ-BAQXQUHISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |