Spektraris NMR
Isodisparinol A
Common Name: Isodisparinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)10-19(27)22-24(30)17(11-18(26)14(3)4)23(29)21-16(12-20(28)31-25(21)22)15-8-6-5-7-9-15/h5-9,12-13,18,26,29-30H,3,10-11H2,1-2,4H3
InChIKey: InChIKey=ITJOJKQNAUALSC-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) | 159.1 |
| 3 (CH) | 112.2 |
| 4 (C) | 156.4 |
| 5 (C) | 160.3 |
| 6 (C) | 109.8 |
| 7 (C) | 166.9 |
| 8 (C) | 104.1 |
| 9 (C) | 156.5 |
| 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) | 206.1 |
| 8b (CH2) | 53.5 |
| 8c (CH) | 25.7 |
| 8d (CH3) | 22.7 |
| 8ca (CH3) | 22.7 |
