Stigmast-5-en-3-yl hexopyranoside
2-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Daucosterol|Sitogluside|Eleutheroside A|BSSG|ST 29:1;O;Hex||A-Sitosterol |A-D-glucoside|AW 10|stigmast-5-en-3-yl hexopyranoside|beta-Sitosterol 3-O-beta-D-galactopyranoside|WA 184|NCI60_001282|2-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol|2-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C35H60O6 |
|---|---|
| Molecular Weight | 576.43896 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 576.43896 |
| Monoisotopic Mass | 576.43896 |
| Heavy Atoms | 41 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 474-58-8 |
|---|---|
| SMILES | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C |
| InChIKey | NPJICTMALKLTFW-UHFFFAOYSA-N |
Product Overview
Stigmast-5-en-3-yl hexopyranoside (CAS 474-58-8), with molecular formula C35H60O6 and molecular weight 576.43896 g/mol. IUPAC: 2-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.