Spektraris NMR
Isoracemosol
Common Name: Isoracemosol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H24O6/c1-4-8-17(25)21-23(29)16(11-18(26)13(2)3)22(28)20-15(12-19(27)30-24(20)21)14-9-6-5-7-10-14/h5-7,9-10,12,18,26,28-29H,2,4,8,11H2,1,3H3
InChIKey: InChIKey=XSNRTHHONWPPCD-UHFFFAOYSA-N
Formula: C24H24O6
Molecular Weight: 408.444669
Exact Mass: 408.157289
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) | 159.3 |
| 3 (CH) | 112.1 |
| 4 (C) | 156.6 |
| 5 (C) | 160.3 |
| 6 (C) | 109.8 |
| 7 (C) | 166.8 |
| 8 (C) | 104 |
| 9 (C) | 156.4 |
| 10 (C) | 102.2 |
| 1' (C) | 139.8 |
| 2' (CH) | 127.1 |
| 3' (CH) | 127.8 |
| 4' (CH) | 128.2 |
| 5' (CH) | 127.8 |
| 6' (CH) | 127.1 |
| 6a (CH2) | 28.5 |
| 6b (CH) | 77.4 |
| 6c (C) | 146.4 |
| 6d (CH2) | 110.6 |
| 6ca (CH3) | 18.5 |
| 8a (C) | 206.3 |
| 8b (CH2) | 46.6 |
| 8c (CH2) | 18.1 |
| 8d (CH3) | 13.8 |
