Spektraris NMR
5'-O-Methyl-7'-ethyl ester of p!dehydrodigallicacid
Common Name: 5'-O-Methyl-7'-ethyl ester of p!dehydrodigallicacid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H16O10/c1-3-26-17(24)8-6-11(25-2)12(20)13(21)14(8)27-15-9(18)4-7(16(22)23)5-10(15)19/h4-6,18-21H,3H2,1-2H3,(H,22,23)
InChIKey: InChIKey=WOSPOYQELBCKSX-UHFFFAOYSA-N
Formula: C17H16O10
Molecular Weight: 380.303612
Exact Mass: 380.074347
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kandil, F.E., Michael, H.N., Ishak, M.S., Mabry, T.J. Phytochemistry (1999) 51, 133-4
Species:
Notes: Family : Aromatics, Type : Biphenyl-ethers; 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) | 121.7 |
| 2 (CH) | 119 |
| 3 (C) | 140.3 |
| 4 (C) | 147.4 |
| 5 (C) | 146.5 |
| 6 (CH) | 119 |
| 1' (C) | 120.5 |
| 2' (C) | 147.2 |
| 3' (C) | 138.8 |
| 4' (C) | 135.2 |
| 5' (CH) | 143.7 |
| 6' (C) | 111.2 |
| 1a (C) | 169.9 |
| 4'a (CH3) | 61 |
| 6'a (C) | 168 |
| 6'b (CH2) | 52 |
| 6'c (CH3) | 14.2 |
