Spektraris NMR
Kaempferol-3-O-β-(2''-acetyl)galactopyranoside
Common Name: Kaempferol-3-O-β-(2''-acetyl)galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O12/c1-9(25)32-22-19(31)17(29)15(8-24)34-23(22)35-21-18(30)16-13(28)6-12(27)7-14(16)33-20(21)10-2-4-11(26)5-3-10/h2-7,15,17,19,22-24,26-29,31H,8H2,1H3/t15-,17+,19+,22-,23+/m1/s1
InChIKey: InChIKey=MWEQHAGXLGTSKL-UOBBVKDSSA-N
Formula: C23H22O12
Molecular Weight: 490.414481
Exact Mass: 490.111126
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) | 158.4 |
| 3 (C) | 136.7 |
| 4 (C) | 179.5 |
| 5 (C) | 163.1 |
| 6 (CH) | 99.8 |
| 7 (C) | 165.8 |
| 8 (CH) | 94.7 |
| 9 (C) | 158.4 |
| 10 (C) | 107.1 |
| 1' (C) | 122.8 |
| 2' (CH) | 132.2 |
| 3' (CH) | 116.2 |
| 4' (C) | 161.5 |
| 5' (CH) | 116.2 |
| 6' (CH) | 132.2 |
| 1'' (CH) | 101.3 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 70.3 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 62 |
| 2''a (C) | 172.6 |
| 2''b (CH3) | 21.3 |
