Spektraris NMR
Pratensein-7-0-glucoside
Common Name: Pratensein-7-0-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O11/c1-30-14-3-2-9(4-12(14)24)11-8-31-15-6-10(5-13(25)17(15)18(11)26)32-22-21(29)20(28)19(27)16(7-23)33-22/h2-6,8,16,19-25,27-29H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChIKey: InChIKey=FGAAKLDKKBMYCB-RECXWPGBSA-N
Formula: C22H22O11
Molecular Weight: 462.404341
Exact Mass: 462.116212
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Anhut, S., Zinsmeister, H.D., Mues, R., Barz, W., Mackenbrock, K. Phytochemistry (1984) 23, 1073-5
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 154.7 |
| 3 (C) | 123.1 |
| 4 (C) | 180.4 |
| 5 (C) | 162.9 |
| 6 (CH) | 99.6 |
| 7 (C) | 161.6 |
| 8 (CH) | 94.5 |
| 9 (C) | 157.1 |
| 10 (C) | 106.1 |
| 1' (C) | 122.4 |
| 2' (CH) | 116.3 |
| 3' (C) | 146.1 |
| 4' (C) | 147.8 |
| 5' (CH) | 112 |
| 6' (CH) | 119.8 |
| 1'' (CH) | 55.6 |
| 2'' (CH) | 99.9 |
| 3'' (CH) | 73 |
| 4'' (CH) | 77.1 |
| 5'' (CH) | 69.6 |
| 6'' (CH2) | 76.4 |
| 4'a (CH3) | 60.6 |
