Spektraris NMR
Epicatechin
Common Name: Epicatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
InChIKey: InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
Formula: C15H14O6
Molecular Weight: 290.268639
Exact Mass: 290.079038
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Foo, L.Y., Lu, Y., Howell, A.B., Vorsa, N. Phytochemistry (2000) 54, 173-81
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) | 79.7 |
| 3 (CH) | 67.4 |
| 4 (CH2) | 29.1 |
| 5 (C) | 157.4 |
| 6 (CH) | 96.2 |
| 7 (C) | 157.6 |
| 8 (CH) | 95.8 |
| 9 (C) | 157.9 |
| 10 (C) | 100.1 |
| 1' (C) | 132.2 |
| 2' (CH) | 115.3 |
| 3' (C) | 145.7 |
| 4' (C) | 145.9 |
| 5' (CH) | 115.7 |
| 6' (CH) | 119.4 |
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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.