Spektraris NMR
2''-O-Galloylisoorientin
Common Name: 2''-O-Galloylisoorientin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O15/c29-8-19-23(37)25(39)27(43-28(40)10-4-15(34)22(36)16(35)5-10)26(42-19)21-14(33)7-18-20(24(21)38)13(32)6-17(41-18)9-1-2-11(30)12(31)3-9/h1-7,19,23,25-27,29-31,33-39H,8H2/t19-,23-,25+,26+,27-/m1/s1
InChIKey: InChIKey=KSIULUAZHQTOJC-NSSNTOQXSA-N
Formula: C28H24O15
Molecular Weight: 600.482257
Exact Mass: 600.11152
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) | 163.9 |
| 6 (C) | 109.3 |
| 7 (C) | 163.9 |
| 8 (CH) | 95 |
| 9 (C) | 157.8 |
| 10 (C) | 103.9 |
| 1' (C) | 122.6 |
| 2' (CH) | 113.2 |
| 3' (C) | 145.9 |
| 4' (C) | 149.9 |
| 5' (CH) | 115.7 |
| 6' (CH) | 119.3 |
| 1'' (CH) | 72.2 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 77.2 |
| 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 |
