Spektraris NMR
Linarin
Common Name: Linarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=YFVGIJBUXMQFOF-PJOVQGMDSA-N
Formula: C28H32O14
Molecular Weight: 592.546378
Exact Mass: 592.179206
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Quintin, J., Lewin, G. J Nat Prod (2004) 67, 1624-7
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) | 164.1 |
| 3 (CH) | 104 |
| 4 (C) | 182.2 |
| 5 (C) | 161.3 |
| 6 (CH) | 99.9 |
| 7 (C) | 163.1 |
| 8 (CH) | 95 |
| 9 (C) | 157.1 |
| 10 (C) | 105.7 |
| 1' (C) | 122.8 |
| 2' (CH) | 128.6 |
| 3' (CH) | 114.9 |
| 4' (C) | 162.6 |
| 5' (CH) | 114.9 |
| 6' (CH) | 128.6 |
| 1'' (CH) | 100.2 |
| 2'' (CH) | 73.3 |
| 3'' (CH) | 76.5 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 75.9 |
| 6'' (CH2) | 66.3 |
| 1''' (CH) | 100.7 |
| 2''' (CH) | 70.6 |
| 3''' (CH) | 71.2 |
| 4''' (CH) | 72.3 |
| 5''' (CH) | 68.5 |
| 6''' (CH3) | 18 |
| 4'a (CH3) | 55.7 |
