Spektraris NMR
Isodisparfuran A
Common Name: Isodisparfuran A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O5/c1-12(2)10-16(23)19-20(25)14-8-9-26-21(14)18-15(11-17(24)27-22(18)19)13-6-4-3-5-7-13/h3-9,11-12,25H,10H2,1-2H3
InChIKey: InChIKey=DCOPSDSASCGVRJ-UHFFFAOYSA-N
Formula: C22H18O5
Molecular Weight: 362.376148
Exact Mass: 362.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guilet D., Helesbeux J.J., Seraphin D., Sevenet T., Richomme P., Bruneton J. J Nat Prod (2001) 64, 563-8
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 |
| 4 (C) | 153.7 |
| 5 (C) | 154.2 |
| 6 (C) | 115 |
| 7 (C) | 162.7 |
| 8 (C) | 106.1 |
| 9 (C) | 154.3 |
| 10 (C) | 100 |
| 1' (C) | 137.1 |
| 2' (CH) | 127.9 |
| 3' (CH) | 128.1 |
| 4' (CH) | 129.3 |
| 5' (CH) | 128.1 |
| 6' (CH) | 127.9 |
| 6a (CH) | 104.9 |
| 6b (CH) | 146.6 |
| 8a (C) | 207.3 |
| 8b (CH2) | 53.6 |
| 8c (CH) | 25.6 |
| 8d (CH3) | 22.7 |
| 8ca (CH3) | 22.7 |
