CAS 105274-16-6

4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone

Description:

The chemical substance known as 4-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone, with the CAS number 105274-16-6, is a complex organic compound characterized by its intricate structure, which includes multiple functional groups such as phenolic, glucosyl, and ketone moieties. This compound is notable for its potential biological activities, which may include antioxidant and anti-inflammatory properties, attributed to the presence of hydroxyl groups and the phenolic structure. The glucosyl component suggests that it may exhibit solubility in polar solvents, enhancing its bioavailability. Additionally, the presence of a conjugated system in the propenyl group may contribute to its reactivity and interaction with biological targets. Overall, this compound exemplifies the diverse functionalities that can arise from glycosylation and phenolic modifications, making it of interest in fields such as medicinal chemistry and natural product research.

Formula: C₃₂H₃₂O₁₃

InChI: InChI=1S/C32H32O13/c1-17(33)2-3-18-6-11-22(12-7-18)43-32-30(45-31(41)20-14-23(35)27(38)24(36)15-20)29(40)28(39)25(44-32)16-42-26(37)13-8-19-4-9-21(34)10-5-19/h4-15,25,28-30,32,34-36,38-40H,2-3,16H2,1H3/b13-8+/t25-,28-,29+,30-,32-/m1/s1

InChI key: InChIKey=QIEOAEKNEKYVTH-IQDFXBJLSA-N

SMILES: O([C@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3=CC=C(O)C=C3)=O)O1)C4=CC=C(CCC(C)=O)C=C4

Synonyms:

• Benzoic acid, 3,4,5-trihydroxy-, 2′-ester with 4-[4-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]phenyl]-2-butanone, (E)-
• 2-Butanone, 4-[4-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-, (E)-
• 4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone
• 2-Butanone, 4-[4-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-

4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone

CAS: 105274-16-6

4-[4-[[6-O-[(2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]phenyl]-2-butanone is a natural product for

Formula: C₃₂H₃₂O₁₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 624.59

Ref: TM-TN5281

4-(3-oxobutyl)phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside

CAS: 105274-16-6

Formula: C₃₂H₃₂O₁₃

Purity: 95%~99%

Molecular weight: 624.595

Ref: BP-BP3957