Spektraris NMR
Gallocatechin
Common Name: Gallocatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
InChIKey: InChIKey=XMOCLSLCDHWDHP-SWLSCSKDSA-N
Formula: C15H14O7
Molecular Weight: 306.268044
Exact Mass: 306.073953
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Foo, L.Y., Lu, Y., Molan, A.L., Woodfield, D.R., McNabb, W.C. Phytochemistry (2000) 54, 539-48
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanols; 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 |
|---|---|
| 2 (CH) | 83.3 |
| 3 (CH) | 69.2 |
| 4 (CH2) | 28.5 |
| 5 (C) | 157.2 |
| 6 (CH) | 96.7 |
| 7 (C) | 158 |
| 8 (CH) | 95.9 |
| 9 (C) | 158.2 |
| 10 (C) | 101.2 |
| 1' (C) | 132 |
| 2' (CH) | 107.6 |
| 3' (C) | 147.3 |
| 4' (C) | 134.4 |
| 5' (C) | 147.3 |
| 6' (CH) | 107.6 |
