Spektraris NMR
Gallocatechin-(4α-8)-epigallocatechin
Common Name: Gallocatechin-(4α-8)-epigallocatechin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1
InChIKey: InChIKey=RTEDIEITOBJPNI-MMKMIGCXSA-N
Formula: C30H26O14
Molecular Weight: 610.520206
Exact Mass: 610.132256
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) | 72.9 |
| 4 (CH) | 37.7 |
| 5 (C) | 156.6 |
| 6 (CH) | 95.8 |
| 7 (C) | 156.4 |
| 8 (CH) | 97.1 |
| 9 (C) | 157.9 |
| 10 (C) | 106.2 |
| 1' (C) | 131.3 |
| 2' (CH) | 108.1 |
| 3' (C) | 145.8 |
| 4' (C) | 133.4 |
| 5' (C) | 145.8 |
| 6' (CH) | 108.1 |
| 2'' (CH) | 79.2 |
| 3'' (CH) | 66.3 |
| 4'' (CH2) | 30 |
| 5'' (C) | 154.7 |
| 6'' (CH) | 97.2 |
| 7'' (C) | 155.1 |
| 8'' (C) | 107.9 |
| 9'' (C) | 154.4 |
| 10'' (C) | 99 |
| 1''' (C) | 131.5 |
| 2''' (CH) | 106.4 |
| 3''' (C) | 146.1 |
| 4''' (C) | 132.6 |
| 5''' (C) | 146.1 |
| 6''' (CH) | 106.4 |
