Spektraris NMR
41206-96-6
Common Name: 41206-96-6
Synonyms: 41206-96-6
CAS Registry Number:
InChI: InChI=1S/C22H20O9/c1-11(23)29-15-7-6-13(8-16(15)27-4)21-22(28-5)20(25)19-17(30-12(2)24)9-14(26-3)10-18(19)31-21/h6-10H,1-5H3
InChIKey: InChIKey=YZOZMJCFAXCVNK-UHFFFAOYSA-N
Formula: C22H20O9
Molecular Weight: 428.389649
Exact Mass: 428.110732
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kumari, G.N.K., Rao, L.J.M., Rao, N.S.P. Proc Indian Acad Sci (1986) 97, 171-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 153 |
| 3 (C) | 141.2 |
| 4 (C) | 172.4 |
| 5 (C) | 150.5 |
| 6 (CH) | 108.1 |
| 7 (C) | 163.4 |
| 8 (CH) | 98.6 |
| 9 (C) | 157.7 |
| 10 (C) | 111 |
| 1' (C) | 129.2 |
| 2' (CH) | 112.6 |
| 3' (C) | 151.1 |
| 4' (C) | 141.6 |
| 5' (CH) | 122.9 |
| 6' (CH) | 121.1 |
| 3a (CH3) | 60.2 |
| 5a (C) | 168.4 |
| 5b (CH3) | 20.6 |
| 7a (CH3) | 55.9 |
| 3'a (CH3) | 56 |
| 4'a (C) | 169.4 |
| 4'b (CH3) | 21.1 |
