2'，4'，6'–Trihydroxydihydrochalcone 4'–O–(3''–O–galloyl)glucoside

cas: 1885097-49-3 — see every product listed under this CAS number, including other names

2'，4'，6'–Trihydroxydihydrochalcone 4'–O–(3''–O–galloyl)glucoside (CAS 1885097-49-3) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGF39231-5mg
cas1885097-49-3
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 3995.08 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate (CAS 1885097-49-3) is a chemical compound with the molecular formula C28H28O13 and a molecular weight of 572.5 g/mol. IUPAC name: [(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate. InChIKey: CEPQQERKIVVLGP-SLHSBHIQSA-N.

Identity
Molecular formulaC28H28O13
Molecular weight572.5 g/mol
IUPAC name[(2S,3R,4S,5R,6R)-2-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] 3,4,5-trihydroxybenzoate
InChIKeyCEPQQERKIVVLGP-SLHSBHIQSA-N
SMILESC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
5-[5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione C28H28O13
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate C28H28O13
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate C28H28O13

Also listed as

2',4',6'-Trihydroxydihydrochalcone-4'-O-(3''-O-galloyl)glucoside MedChemExpress CAS 1885097-49-3