Products 87697-99-2

CAS 87697-99-2 is the registry number for Kelletinin I. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate (CAS 87697-99-2) is a chemical compound with the molecular formula C32H26O12 and a molecular weight of 602.5 g/mol. IUPAC name: [(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate. InChIKey: UFYXGHSICNSXJL-HNRBIFIRSA-N.

Identity
Molecular formulaC32H26O12
Molecular weight602.5 g/mol
IUPAC name[(2S,3R)-2,3,4-tris[(4-hydroxybenzoyl)oxy]butyl] 4-hydroxybenzoate
InChIKeyUFYXGHSICNSXJL-HNRBIFIRSA-N
SMILESC1=CC(=CC=C1C(=O)OC[C@H]([C@H](COC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=C(C=C4)O)O

Computed by PubChem (NCBI)