(3β,4β,5Alpha)-19-Hydroxy-4-[(3-O-Sulfo-β-D-Glucopyranosyl)Oxy]Pregn-20-En-3-Yl Hydrogen Sulfate
Properties
| Property | Value |
|---|---|
| Formula | C27H44O14S2 |
| IUPAC Name | [(1s,2r)-4-[(1r,3ar,4r,5r,7as)-4-hydroxy-7a-methyl-1-vinyl-1,2,3,3a,4,5,6,7-octahydroinden-5-yl]-2-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxy-tetrahydropyran-2-yl]oxy-cyclohept-3-en-1-yl] hydrogen sulfate; ethylene |
| Molecular Mass | 656.760 g·mol−1 |
| Heat of Formation | 1194.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.28 ± 1.08 D |
| Volume | 623.93 Å 3 |
| Surface Area | 497.98 Å 2 |
| HOMO Energy | -9.79 ± 0.55 eV |
| LUMO Energy | -2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WUJFWRYOPRJJBL-DBWUAWNZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C S O |