Products 2101837-94-7
CAS 2101837-94-7 is the registry number for (3R)-Cassialactone 9-O-β-gentiobioside. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3R)-10-hydroxy-3-(hydroxymethyl)-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-benzo[g]isochromen-1-one (CAS 2101837-94-7) is a chemical compound with the molecular formula C28H36O16 and a molecular weight of 628.6 g/mol. IUPAC name: (3R)-10-hydroxy-3-(hydroxymethyl)-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-benzo[g]isochromen-1-one. InChIKey: YXRYVEYEWXESBM-YYPCPFGQSA-N.
| Molecular formula | C28H36O16 |
|---|---|
| Molecular weight | 628.6 g/mol |
| IUPAC name | (3R)-10-hydroxy-3-(hydroxymethyl)-7-methoxy-3-methyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4H-benzo[g]isochromen-1-one |
| InChIKey | YXRYVEYEWXESBM-YYPCPFGQSA-N |
| SMILES | C[C@@]1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)OC)CO |
Computed by PubChem (NCBI)
Synonyms:
orb3179707