Spektraris NMR
Isodisparinol B
Common Name: Isodisparinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-5-14(4)22(28)21-24(30)17(11-18(26)13(2)3)23(29)20-16(12-19(27)31-25(20)21)15-9-7-6-8-10-15/h6-10,12,14,18,26,29-30H,2,5,11H2,1,3-4H3
InChIKey: InChIKey=RAIZTULKRWIEBV-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) | 159.2 |
| 3 (CH) | 112.2 |
| 4 (C) | 156.4 |
| 5 (C) | 160.2 |
| 6 (C) | 109.9 |
| 7 (C) | 167 |
| 8 (C) | 103.7 |
| 9 (C) | 156.3 |
| 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) | 28.6 |
| 6b (CH) | 76.8 |
| 6c (C) | 146.4 |
| 6d (CH2) | 110.6 |
| 6ca (CH3) | 18.4 |
| 8a (C) | 210.6 |
| 8b (CH) | 46.8 |
| 8c (CH2) | 27.2 |
| 8d (CH3) | 11.8 |
| 8ba (CH3) | 22.7 |
