Quercetin 3-O-(6''-acetyl)-β-D-galactopyranoside

Quercetin 3-O-(6''-acetyl)-β-D-galactopyranoside

Common Name: Quercetin 3-O-(6''-acetyl)-β-D-galactopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1

InChIKey: InChIKey=IGLUNMMNDNWZOA-QZGPLKIZSA-N

Formula: C23H22O13

Molecular Weight: 506.413886

Exact Mass: 506.106041

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Foo, L.Y., Lu, Y., Molan, A.L., Woodfield, D.R., McNabb, W.C. Phytochemistry (2000) 54, 539-48

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)

Carbon NMR Peaks

Position PPM
2 (C) 156.6
3 (C) 133.8
4 (C) 177.8
5 (C) 161.6
6 (CH) 99
7 (C) 164.5
8 (CH) 93.8
9 (C) 156.6
10 (C) 104.2
1' (C) 121.4
2' (CH) 115.5
3' (C) 145.2
4' (C) 148.8
5' (CH) 116.2
6' (CH) 122.3
1'' (CH) 102.1
2'' (CH) 71.3
3'' (CH) 73.2
4'' (CH) 68.5
5'' (CH) 73.2
6'' (CH2) 63.5
6''a (C) 170.2
6''b (CH3) 20.5