Products 250249-75-3

CAS 250249-75-3 appears in our catalog under these names: Rutin trihydrate, 96%, Rutin trihydrate, Rutin trihydrate 1000 µg/mL in Acetonitrile, Rutin (hydrate), (+)-Rutin trihydrate, 95% . Offered by: Combi-blocks, Dr. Ehrenstorfer, GLPBio, TargetMol, Thermo Scientific (Alfa Aesar). Available pack sizes: 5g, 100g, 500g, 1kg, 25g, 500mg, 1ml, 50g.

Structural formula: {0} (CAS {1})

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate (CAS 250249-75-3) is a chemical compound with the molecular formula C27H36O19 and a molecular weight of 664.6 g/mol. IUPAC name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate. InChIKey: NLLBWFFSGHKUSY-JPRRWYCFSA-N.

Identity
Molecular formulaC27H36O19
Molecular weight664.6 g/mol
IUPAC name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrate
InChIKeyNLLBWFFSGHKUSY-JPRRWYCFSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.O

Computed by PubChem (NCBI)