Spektraris NMR
Quercetin 3-O-β-(2''-acetyl)galactopyranoside-7-O-β-arabinopyranoside
Common Name: Quercetin 3-O-β-(2''-acetyl)galactopyranoside-7-O-β-arabinopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O17/c1-9(30)41-26-22(38)20(36)17(7-29)44-28(26)45-25-21(37)18-14(33)5-11(42-27-23(39)19(35)15(34)8-40-27)6-16(18)43-24(25)10-2-3-12(31)13(32)4-10/h2-6,15,17,19-20,22-23,26-29,31-36,38-39H,7-8H2,1H3/t15-,17+,19-,20-,22-,23+,26+,27-,28-/m0/s1
InChIKey: InChIKey=KHNQNAFACHGRJW-QHGCNJJSSA-N
Formula: C28H30O17
Molecular Weight: 638.528712
Exact Mass: 638.1483
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Fico, G., Braca, A., Bilia, A.R., Tome, F., Morelli, I. J Nat Prod (2000) 63, 1563-5
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) | 158.6 |
| 3 (C) | 136.5 |
| 4 (C) | 179.2 |
| 5 (C) | 162.8 |
| 6 (CH) | 100 |
| 7 (C) | 164.6 |
| 8 (CH) | 94.6 |
| 9 (C) | 158.8 |
| 10 (C) | 106.8 |
| 1' (C) | 123 |
| 2' (CH) | 117.3 |
| 3' (C) | 146.5 |
| 4' (C) | 148.8 |
| 5' (CH) | 116.1 |
| 6' (CH) | 132 |
| 1'' (CH) | 101.5 |
| 2'' (CH) | 73 |
| 3'' (CH) | 73.9 |
| 4'' (CH) | 69.9 |
| 5'' (CH) | 76.8 |
| 6'' (CH2) | 62.2 |
| 1''' (CH) | 101.2 |
| 2''' (CH) | 72 |
| 3''' (CH) | 74.7 |
| 4''' (CH) | 68.9 |
| 5''' (CH2) | 66.8 |
| 2''a (C) | 172 |
| 2''b (CH3) | 21.1 |
