Spektraris NMR
Favokawain-A
Common Name: Favokawain-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H18O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-11,20H,1-3H3/b9-6+
InChIKey: InChIKey=CGIBCVBDFUTMPT-RMKNXTFCSA-N
Formula: C18H18O5
Molecular Weight: 314.333204
Exact Mass: 314.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seidel, V., Bailleul, F., Waterman, P.G. Phytochemistry (2000) 55, 439-46
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 128.6 |
| 2 (CH) | 130.3 |
| 3 (CH) | 114.6 |
| 4 (C) | 161.6 |
| 5 (CH) | 114.6 |
| 6 (CH) | 130.3 |
| α (CH) | 125.3 |
| β (CH) | 142.7 |
| 1' (C) | 106.6 |
| 2' (C) | 168.6 |
| 3' (CH) | 94 |
| 4' (C) | 166.2 |
| 5' (CH) | 91.5 |
| 6' (C) | 162.7 |
| β' (C) | 192.8 |
| 4a (CH3) | 55.6 |
| 4'a (CH3) | 55.8 |
| 6'a (CH3) | 56 |
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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.