Spektraris NMR
Epicatechin-5-O-β-D-glucopyranosyl-3-benzoate
Common Name: Epicatechin-5-O-β-D-glucopyranosyl-3-benzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H28O12/c29-12-22-23(33)24(34)25(35)28(40-22)39-20-10-15(30)9-19-16(20)11-21(38-27(36)13-4-2-1-3-5-13)26(37-19)14-6-7-17(31)18(32)8-14/h1-10,21-26,28-35H,11-12H2/t21-,22-,23-,24+,25-,26-,28-/m1/s1
InChIKey: InChIKey=BZAMUAIUOGNDPV-FITCNNEASA-N
Formula: C28H28O12
Molecular Weight: 556.515805
Exact Mass: 556.158076
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hwang, B.Y., Kim, H.S., Lee, J.H., Hong, Y.S., Ro, J.S., Lee, K.S., Lee, J.J. J Nat Prod (2001) 64, 82-4
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) | 77 |
| 3 (CH) | 68.7 |
| 4 (CH2) | 25.5 |
| 5 (C) | 156.5 |
| 6 (CH) | 95.5 |
| 7 (C) | 155.1 |
| 8 (CH) | 96.6 |
| 9 (C) | 156.8 |
| 10 (C) | 99.5 |
| 1' (C) | 129 |
| 2' (CH) | 114 |
| 3' (C) | 144.7 |
| 4' (C) | 144.8 |
| 5' (CH) | 115.1 |
| 6' (CH) | 117.2 |
| 1'' (C) | 129.5 |
| 2'' (CH) | 129.1 |
| 3'' (CH) | 128.8 |
| 4'' (CH) | 133.3 |
| 5'' (CH) | 128.8 |
| 6'' (CH) | 129.1 |
| 1''' (CH) | 100.5 |
| 2''' (CH) | 73.2 |
| 3''' (CH) | 76.3 |
| 4''' (CH) | 69.5 |
| 5''' (CH) | 76.5 |
| 6''' (CH2) | 60.6 |
| 3a (C) | 164.8 |
