Products 117457-37-1

CAS 117457-37-1 is the registry number for Lugrandoside. Offered by: TargetMol, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 1 mg.

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

[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 117457-37-1) is a chemical compound with the molecular formula C29H36O16 and a molecular weight of 640.6 g/mol. IUPAC name: [(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: YKBRODKARMTLPL-NTBOYMNJSA-N.

Identity
Molecular formulaC29H36O16
Molecular weight640.6 g/mol
IUPAC name[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyYKBRODKARMTLPL-NTBOYMNJSA-N
SMILESC1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O

Computed by PubChem (NCBI)