Spektraris NMR
2''-O-Galloylisovitexin
Common Name: 2''-O-Galloylisovitexin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O14/c29-9-19-23(36)25(38)27(42-28(39)11-5-15(33)22(35)16(34)6-11)26(41-19)21-14(32)8-18-20(24(21)37)13(31)7-17(40-18)10-1-3-12(30)4-2-10/h1-8,19,23,25-27,29-30,32-38H,9H2/t19-,23-,25+,26+,27-/m1/s1
InChIKey: InChIKey=QRWNUPSQVOBESO-NSSNTOQXSA-N
Formula: C28H24O14
Molecular Weight: 584.482852
Exact Mass: 584.116605
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Latte, K.P., Ferreira, D., Venkatraman, M.S., Kolodziej, H. Phytochemistry (2002) 59, 419-24
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 166.6 |
| 3 (CH) | 102.9 |
| 4 (C) | 182.9 |
| 5 (C) | 161.7 |
| 6 (C) | 109.3 |
| 7 (C) | 164 |
| 8 (CH) | 95 |
| 9 (C) | 157.8 |
| 10 (C) | 103.9 |
| 1' (C) | 122.2 |
| 2' (CH) | 128.5 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.7 |
| 5' (CH) | 115.9 |
| 6' (CH) | 128.5 |
| 1'' (CH) | 72.2 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 77.1 |
| 4'' (CH) | 70.8 |
| 5'' (CH) | 81.9 |
| 6'' (CH2) | 61.8 |
| 1''' (C) | 165.7 |
| 2''' (C) | 120.5 |
| 3''' (CH) | 109.3 |
| 4''' (C) | 145.2 |
| 5''' (C) | 138.6 |
| 6''' (C) | 145.2 |
| 7''' (CH) | 109.3 |
