Products 167221-10-5
CAS 167221-10-5 is the registry number for Schidegera-saponin A1. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(1R,4S,6R,7S,8R,9S,13S,16S,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 167221-10-5) is a chemical compound with the molecular formula C44H70O17 and a molecular weight of 871.0 g/mol. IUPAC name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(1R,4S,6R,7S,8R,9S,13S,16S,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: OKXQHXAEZMQAFY-VUICGQFWSA-N.
| Molecular formula | C44H70O17 |
|---|---|
| Molecular weight | 871.0 g/mol |
| IUPAC name | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(1R,4S,6R,7S,8R,9S,13S,16S,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | OKXQHXAEZMQAFY-VUICGQFWSA-N |
| SMILES | C[C@H]1[C@H]2[C@H](CC3[C@@]2(CCC4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)O[C@]19CCC(=C)CO9 |
Computed by PubChem (NCBI)
Synonyms:
Schidigerasaponin A1