Spektraris NMR
Kaempferol 3-O-β-(2''-acetyl)galactopyranoside-7-O-α-arabinopyranoside
Common Name: Kaempferol 3-O-β-(2''-acetyl)galactopyranoside-7-O-α-arabinopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O16/c1-10(30)40-26-22(37)20(35)17(8-29)43-28(26)44-25-21(36)18-14(32)6-13(41-27-23(38)19(34)15(33)9-39-27)7-16(18)42-24(25)11-2-4-12(31)5-3-11/h2-7,15,17,19-20,22-23,26-29,31-35,37-38H,8-9H2,1H3/t15-,17+,19-,20-,22-,23+,26+,27-,28-/m0/s1
InChIKey: InChIKey=HMAHCKMFQNOXMU-QHGCNJJSSA-N
Formula: C28H30O16
Molecular Weight: 622.529307
Exact Mass: 622.153385
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) | 157.8 |
| 3 (C) | 136 |
| 4 (C) | 179.6 |
| 5 (C) | 163.7 |
| 6 (CH) | 99.9 |
| 7 (C) | 164.3 |
| 8 (CH) | 94.5 |
| 9 (C) | 158.2 |
| 10 (C) | 107.7 |
| 1' (C) | 122.6 |
| 2' (CH) | 132 |
| 3' (CH) | 116.4 |
| 4' (C) | 161 |
| 5' (CH) | 116.4 |
| 6' (CH) | 132 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 74 |
| 4'' (CH) | 70.5 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 62.1 |
| 1''' (CH) | 100.6 |
| 2''' (CH) | 72.1 |
| 3''' (CH) | 74.5 |
| 4''' (CH) | 68.5 |
| 5''' (CH2) | 66.3 |
| 2''a (C) | 172.4 |
| 2''b (CH3) | 21.2 |
