Spektraris NMR
4-({6-O-[(4-Hydroxy-3,5-dimethoxyphenyl)carbonyl]-β glucopyranosyl}oxy)-3,5-dimethoxybenzoic acid.
![4-({6-O-[(4-Hydroxy-3,5-dimethoxyphenyl)carbonyl]-β glucopyranosyl}oxy)-3,5-dimethoxybenzoic acid.](/nmr/static/nmr/svg/17509.svg)
Common Name: 4-({6-O-[(4-Hydroxy-3,5-dimethoxyphenyl)carbonyl]-β glucopyranosyl}oxy)-3,5-dimethoxybenzoic acid.
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O14/c1-32-12-7-11(8-13(33-2)17(12)25)23(31)36-9-16-18(26)19(27)20(28)24(37-16)38-21-14(34-3)5-10(22(29)30)6-15(21)35-4/h5-8,16,18-20,24-28H,9H2,1-4H3,(H,29,30)/t16-,18-,19+,20-,24+/m1/s1
InChIKey: InChIKey=SNDSJLKXRHARRI-KXJGTOPRSA-N
Formula: C24H28O14
Molecular Weight: 540.471672
Exact Mass: 540.147906
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Su, D.M., Wang, Y.H., Yu, S.S., Yu, D.Q., Hu, Y.C., Tang, W.Z., Liu, G.T., Wang, W.J. Chem Biodivers (2007) 4, 2852-62
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) | 127.8 |
| 2 (CH) | 108.3 |
| 3 (C) | 154.3 |
| 4 (C) | 139.6 |
| 5 (C) | 154.3 |
| 6 (CH) | 108.3 |
| 7 (C) | 169.1 |
| 1' (C) | 121.3 |
| 2' (CH) | 108.2 |
| 3' (C) | 148.8 |
| 4' (C) | 142.1 |
| 5' (C) | 148.8 |
| 6' (CH) | 108.2 |
| 7' (C) | 167.7 |
| 1'' (CH) | 104.2 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 72.1 |
| 5'' (CH) | 75.9 |
| 6'' (CH2) | 65 |
| 3a (CH3) | 56.9 |
| 5a (CH3) | 56.9 |
| 3'a (CH3) | 56.8 |
| 5'a (CH3) | 56.8 |
