Spektraris NMR
Quercetin 3-O-[2-O-(6-O-feruloyl)-β-D-glucopyranosyl]-β-D-galactopyranoside
![Quercetin 3-O-[2-O-(6-O-feruloyl)-β-D-glucopyranosyl]-β-D-galactopyranoside](/nmr/static/nmr/svg/11633.svg)
Common Name: Quercetin 3-O-[2-O-(6-O-feruloyl)-β-D-glucopyranosyl]-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H38O20/c1-51-21-8-14(2-5-18(21)41)3-7-25(44)52-13-24-28(46)30(48)32(50)36(55-24)57-35-31(49)27(45)23(12-38)54-37(35)56-34-29(47)26-20(43)10-16(39)11-22(26)53-33(34)15-4-6-17(40)19(42)9-15/h2-11,23-24,27-28,30-32,35-43,45-46,48-50H,12-13H2,1H3/b7-3+/t23-,24-,27+,28-,30+,31+,32-,35-,36+,37+/m1/s1
InChIKey: InChIKey=HUHCPMKLCPDUEY-XLXDBILHSA-N
Formula: C37H38O20
Molecular Weight: 802.687075
Exact Mass: 802.195644
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kim, Y., Park, E.J., Kim, J., Kim, S.R., Kim, Y.Y. J Nat Prod (2001) 64, 75-8
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) | 155.2 |
| 3 (C) | 133 |
| 4 (C) | 177.4 |
| 5 (C) | 161.2 |
| 6 (CH) | 98.5 |
| 7 (C) | 163.9 |
| 8 (CH) | 93.3 |
| 9 (C) | 156.1 |
| 10 (C) | 103.8 |
| 1' (C) | 121.1 |
| 2' (CH) | 115.3 |
| 3' (C) | 144.9 |
| 4' (C) | 148.5 |
| 5' (CH) | 115.9 |
| 6' (CH) | 122.2 |
| 1'' (CH) | 98.2 |
| 2'' (CH) | 81.6 |
| 3'' (CH) | 73.2 |
| 4'' (CH) | 67.5 |
| 5'' (CH) | 76.3 |
| 6'' (CH2) | 59.8 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 74.6 |
| 3''' (CH) | 75.8 |
| 4''' (CH) | 69.4 |
| 5''' (CH) | 73.9 |
| 6''' (CH2) | 63.2 |
| 1'''' (C) | 125.4 |
| 2'''' (CH) | 111 |
| 3'''' (C) | 147.8 |
| 4'''' (C) | 149.2 |
| 5'''' (CH) | 115.3 |
| 6'''' (CH) | 122.8 |
| 7'''' (CH) | 145 |
| 8'''' (CH) | 114 |
| 9'''' (C) | 166.6 |
| 3''''a (CH3) | 55.6 |
