Spektraris NMR
6'-O-Galloylsalidroside
Common Name: 6'-O-Galloylsalidroside
Synonyms: 6'-O-Galloylsalidroside
CAS Registry Number:
InChI: InChI=1S/C21H24O11/c22-12-3-1-10(2-4-12)5-6-30-21-19(28)18(27)17(26)15(32-21)9-31-20(29)11-7-13(23)16(25)14(24)8-11/h1-4,7-8,15,17-19,21-28H,5-6,9H2/t15-,17-,18+,19-,21-/m1/s1
InChIKey: InChIKey=BHUHTEAJYSUNLI-PEVLUNPASA-N
Formula: C21H24O11
Molecular Weight: 452.409486
Exact Mass: 452.131862
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Latte, K.P., Kaloga, M., Schafer, A., Kolodziej, H. Phytochemistry (2008) 69, 820-6
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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 |
|---|---|
| 1 (C) | 121.5 |
| 2 (CH) | 110.2 |
| 3 (C) | 146.6 |
| 4 (C) | 139.1 |
| 5 (C) | 146.6 |
| 6 (CH) | 110.2 |
| 7 (C) | 168.4 |
| 1' (CH) | 104.6 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78 |
| 4' (CH) | 72.3 |
| 5' (CH) | 75.5 |
| 6' (CH2) | 64.8 |
| 1'' (C) | 130.7 |
| 2'' (CH) | 130.9 |
| 3'' (CH) | 116.1 |
| 4'' (C) | 156.7 |
| 5'' (CH) | 116.1 |
| 6'' (CH) | 130.9 |
| 7'' (CH2) | 36.5 |
| 8'' (CH2) | 71.8 |
