Spektraris NMR
4-O-(6'-O-Galloyl-b-D-glucopyranosyl)-cis-pcoumaric acid
Common Name: 4-O-(6'-O-Galloyl-b-D-glucopyranosyl)-cis-pcoumaric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O12/c23-13-7-11(8-14(24)17(13)27)21(31)32-9-15-18(28)19(29)20(30)22(34-15)33-12-3-1-2-10(6-12)4-5-16(25)26/h1-8,15,18-20,22-24,27-30H,9H2,(H,25,26)/b5-4-/t15-,18-,19+,20-,22-/m1/s1
InChIKey: InChIKey=OQIDAEMOCBOIEJ-DTAZHOOCSA-N
Formula: C22H22O12
Molecular Weight: 478.403745
Exact Mass: 478.111126
NMR Solvent: A+W
MHz:
Calibration:
NMR references: 13C - Isaza, J.H., Ito, H., Yoshida, T. Phytochemistry (2001) 58, 321-7
Species:
Notes: Family : Aromatics, Type : Benzenes; 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) | 129.9 |
| 2 (CH) | 132.9 |
| 3 (CH) | 116.6 |
| 4 (CH) | 159.2 |
| 5 (C) | 116.6 |
| 6 (CH) | 132.9 |
| 7 (CH) | 142.9 |
| 8 (CH) | 118.7 |
| 9 (C) | 167.9 |
| 1' (CH) | 101.5 |
| 2' (CH) | 74.5 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71.1 |
| 5' (CH) | 75.1 |
| 6' (CH2) | 64.5 |
| 1'' (C) | 121.5 |
| 2'' (CH) | 109.9 |
| 3'' (C) | 146 |
| 4'' (C) | 138.8 |
| 5'' (C) | 146 |
| 6'' (CH) | 109.9 |
| 7'' (C) | 166.9 |
