Spektraris NMR
Catechin-(3′-->O-->3′′′)-afzelechin
Common Name: Catechin-(3′-->O-->3′′′)-afzelechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O11/c31-15-7-21(35)17-11-23(37)29(40-25(17)9-15)13-1-3-19(33)27(5-13)39-28-6-14(2-4-20(28)34)30-24(38)12-18-22(36)8-16(32)10-26(18)41-30/h1-10,23-24,29-38H,11-12H2/t23-,24-,29+,30+/m0/s1
InChIKey: InChIKey=QDQUMKMBQVBHBC-BAAZAXTHSA-N
Formula: C30H26O11
Molecular Weight: 562.521991
Exact Mass: 562.147512
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aziz-Ur-Rehman, A.U., Malik, A., Riaz, N., Nawaz, H.R., Ahmad, H., Nawaz, S.A., Choudhary, M.I. J Nat Prod (2004) 67, 1450-4
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) | 81.7 |
| 3 (CH) | 68 |
| 4 (CH2) | 29.2 |
| 5 (C) | 157 |
| 6 (CH) | 95.4 |
| 7 (C) | 156.7 |
| 8 (CH) | 96.2 |
| 9 (C) | 157.3 |
| 10 (C) | 102.4 |
| 1' (C) | 131.2 |
| 2' (CH) | 120.3 |
| 3' (C) | 141.2 |
| 4' (C) | 149.2 |
| 5' (CH) | 117.8 |
| 6' (CH) | 124 |
| 2'' (CH) | 81.7 |
| 3'' (CH) | 68 |
| 4'' (CH2) | 29.2 |
| 5'' (C) | 157 |
| 6'' (CH) | 95.4 |
| 7'' (C) | 156.7 |
| 8'' (CH) | 96.2 |
| 9'' (C) | 157.3 |
| 10'' (C) | 102.4 |
| 1''' (C) | 131.2 |
| 2''' (CH) | 120.3 |
| 3''' (C) | 141.2 |
| 4''' (C) | 149.2 |
| 5''' (CH) | 117.8 |
| 6''' (CH) | 124 |
