Spektraris NMR
Isodispar B
Common Name: Isodispar B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-11(2)8-14(21)19-16(23)10-15(22)18-13(9-17(24)25-20(18)19)12-6-4-3-5-7-12/h3-7,9-11,22-23H,8H2,1-2H3
InChIKey: InChIKey=GKEWZBRIASMMCY-UHFFFAOYSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guilet D., Seraphin D., Rondeau D., Richomme P., Bruneton J. Phytochemistry (2001) 58, 571-5
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) | 158.5 |
| 3 (CH) | 111.7 |
| 4 (C) | 154 |
| 5 (C) | 159.6 |
| 6 (CH) | 101.4 |
| 7 (C) | 168.8 |
| 8 (C) | 104.9 |
| 9 (C) | 155.7 |
| 10 (C) | 100.8 |
| 1' (C) | 136.3 |
| 2' (CH) | 127.4 |
| 3' (CH) | 129.6 |
| 4' (CH) | 130.4 |
| 5' (CH) | 129.6 |
| 6' (CH) | 127.4 |
| 8a (C) | 205.8 |
| 8b (CH2) | 53.5 |
| 8c (CH) | 25.5 |
| 8d (CH3) | 22.6 |
| 8ca (CH3) | 22.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.