Spektraris NMR
Disparinol A
Common Name: Disparinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)10-19(27)22-23(29)17(11-18(26)14(3)4)25-21(24(22)30)16(12-20(28)31-25)15-8-6-5-7-9-15/h5-9,12-13,18,26,29-30H,3,10-11H2,1-2,4H3
InChIKey: InChIKey=IQMQJKCHMGXLEU-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guilet D., Morel C., Noyer N., Cornec M., Seraphin D., Wiart C., Hadi A.H.A., Sevenet T., Richomme P., Bruneton J. Heterocycles (1999) 51, 67
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) | 160 |
| 3 (CH) | 112.1 |
| 4 (C) | 156.7 |
| 5 (C) | 163.3 |
| 6 (C) | 107.8 |
| 7 (C) | 162.5 |
| 8 (C) | 104.7 |
| 9 (C) | 157.7 |
| 10 (C) | 102 |
| 1' (C) | 139.3 |
| 2' (CH) | 127.1 |
| 3' (CH) | 127.7 |
| 4' (CH) | 128.2 |
| 5' (CH) | 127.7 |
| 6' (CH) | 127.1 |
| 6a (C) | 207.5 |
| 6b (CH2) | 53.5 |
| 6c (CH) | 25.1 |
| 6d (CH3) | 22.7 |
| 6ca (CH3) | 22.7 |
| 8a (CH2) | 28.8 |
| 8b (CH) | 77.5 |
| 8c (C) | 146 |
| 8d (CH3) | 18.7 |
| 8ca (CH2) | 111.1 |
