Spektraris NMR
Bracteoside
Common Name: Bracteoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O12/c1-31-19-14(25)13-11(24)6-10(7-12(13)33-18(19)8-2-4-9(23)5-3-8)32-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-24,26-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1
InChIKey: InChIKey=DKWQRYDJKSHULB-NTKSAMNMSA-N
Formula: C22H20O12
Molecular Weight: 476.387864
Exact Mass: 476.095476
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Flamini, G., Antognoli, E., Morelli, I. Phytochemistry (2001) 57, 559-64
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 |
| 3 (C) | 137.9 |
| 4 (C) | 178.2 |
| 5 (C) | 160.4 |
| 6 (CH) | 99.2 |
| 7 (C) | 162.6 |
| 8 (CH) | 94.5 |
| 9 (C) | 156 |
| 10 (C) | 105.4 |
| 1' (C) | 121 |
| 2' (CH) | 130 |
| 3' (CH) | 116.1 |
| 4' (C) | 160.9 |
| 5' (CH) | 116.1 |
| 6' (CH) | 130 |
| 1'' (CH) | 99.4 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 75.1 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 75.8 |
| 6'' (C) | 170.9 |
| 3a (CH3) | 59.7 |
