Spektraris NMR
3,4′-O-dimethylellagic acid
Common Name: 3,4′-O-dimethylellagic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H10O7/c1-20-6-3-7-11-10(4-6)22-15(18)8-5-9(17)13(21-2)14(12(8)11)23-16(7)19/h3-5,17H,1-2H3
InChIKey: InChIKey=CWGFLBQDCWCNCC-UHFFFAOYSA-N
Formula: C16H10O7
Molecular Weight: 314.247016
Exact Mass: 314.042653
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251
Species:
Notes: Family : Aromatics, Type : Biphenyls; 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) | 111.6 |
| 2 (C) | 141.7 |
| 3 (C) | 140.2 |
| 4 (C) | 152.6 |
| 5 (CH) | 111.4 |
| 6 (C) | 112.9 |
| 7 (C) | 158.8 |
| 1' (C) | 107 |
| 2' (C) | 140.6 |
| 3' (CH) | 135.7 |
| 4' (C) | 149.9 |
| 5' (CH) | 106.8 |
| 6' (C) | 113.7 |
| 7' (C) | 158.9 |
| 3a (CH3) | 61.1 |
| 4'a (CH3) | 56.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.