Spektraris NMR
Quercetin 3-O-β-D-galactopyranoside
Common Name: Quercetin 3-O-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
InChIKey: InChIKey=OVSQVDMCBVZWGM-DTGCRPNFSA-N
Formula: C21H20O12
Molecular Weight: 464.377128
Exact Mass: 464.095476
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) | 156.2 |
| 3 (C) | 133.5 |
| 4 (C) | 177.5 |
| 5 (C) | 161.3 |
| 6 (CH) | 98.8 |
| 7 (C) | 164.6 |
| 8 (CH) | 93.6 |
| 9 (C) | 156.4 |
| 10 (C) | 103.8 |
| 1' (C) | 121.1 |
| 2' (CH) | 115.2 |
| 3' (C) | 144.9 |
| 4' (C) | 148.6 |
| 5' (CH) | 116 |
| 6' (CH) | 122 |
| 1'' (CH) | 101.9 |
| 2'' (CH) | 71.3 |
| 3'' (CH) | 73.3 |
| 4'' (CH) | 68 |
| 5'' (CH) | 75.9 |
| 6'' (CH2) | 60.2 |
