Spektraris NMR
69640-78-4
Common Name: 69640-78-4
Synonyms: 69640-78-4
CAS Registry Number:
InChI: InChI=1S/C21H20O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-10,12,16H,11H2,1-3H3/t16-/m0/s1
InChIKey: InChIKey=ITOTUSMHIQFNHJ-INIZCTEOSA-N
Formula: C21H20O4
Molecular Weight: 336.381889
Exact Mass: 336.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andrei, C.C., Ferreira, D.T., Faccione, M., de Moraes, L.A., de Carvalho, M.G., Braz-Filho, R. Phytochemistry (2000) 55, 799-804
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 78.84 |
| 3 (CH2) | 45.52 |
| 4 (C) | 189.1 |
| 5 (C) | 162.05 |
| 6 (CH) | 93.7 |
| 7 (C) | 159.93 |
| 8 (C) | 102.8 |
| 9 (C) | 158.71 |
| 10 (C) | 105.59 |
| 1' (C) | 138.88 |
| 2' (CH) | 125.85 |
| 3' (CH) | 128.63 |
| 4' (CH) | 128.42 |
| 5' (CH) | 128.63 |
| 6' (CH) | 125.85 |
| 2'' (C) | 77.9 |
| 3'' (CH) | 126.24 |
| 4'' (CH) | 115.93 |
| 5'' (CH3) | 28.11 |
| 6'' (CH3) | 28.42 |
| 5a (CH3) | 56.07 |
