Spektraris NMR
Racemosone
Common Name: Racemosone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O6/c1-3-7-14(23)18-19(25)16(11(2)22)21-17(20(18)26)13(10-15(24)27-21)12-8-5-4-6-9-12/h4-6,8-10,25-26H,3,7H2,1-2H3
InChIKey: InChIKey=CWYKFYFKUYOIRI-UHFFFAOYSA-N
Formula: C21H18O6
Molecular Weight: 366.364817
Exact Mass: 366.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morel C., Dartiguelongue C., Youhana T., Oger J.M., Seraphin D., Duval O., Richomme P., Bruneton J. Heterocycles (1999) 51, 2183
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 158.1 |
| 3 (CH) | 112.3 |
| 4 (C) | 156.6 |
| 5 (C) | 170.4 |
| 6 (C) | 106.1 |
| 7 (C) | 172.1 |
| 8 (C) | 102.7 |
| 9 (C) | 161.3 |
| 10 (C) | 101.5 |
| 1' (C) | 139 |
| 2' (CH) | 126.9 |
| 3' (CH) | 127.8 |
| 4' (CH) | 128.5 |
| 5' (CH) | 127.8 |
| 6' (CH) | 126.9 |
| 6a (C) | 208.2 |
| 6b (CH2) | 46.6 |
| 6c (CH2) | 17.7 |
| 6d (CH3) | 13.8 |
| 8a (C) | 204 |
| 8b (CH3) | 33.6 |
