Products 35595-03-0

CAS 35595-03-0 is the registry number for Centaurein. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one (CAS 35595-03-0) is a chemical compound with the molecular formula C24H26O13 and a molecular weight of 522.5 g/mol. IUPAC name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one. InChIKey: GGMCFLXPZMBJMV-NPVWYNPDSA-N.

Identity
Molecular formulaC24H26O13
Molecular weight522.5 g/mol
IUPAC name5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChIKeyGGMCFLXPZMBJMV-NPVWYNPDSA-N
SMILESCOC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC)O

Computed by PubChem (NCBI)