Spektraris NMR
Kakkatin
Common Name: Kakkatin
Synonyms: Kakkatin
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-20-15-7-14-11(6-13(15)18)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKey: InChIKey=UXQHNHMMYMGPAH-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: C+ D
MHz:
Calibration:
NMR references: 13C - Jha, B.C., Zilliken, F., Breitmaier, B. Can J Chem (1980) 58, 1211
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 152.2 |
| 3 (C) | 123.4 |
| 4 (C) | 174.9 |
| 5 (CH) | 108.1 |
| 6 (C) | 145.2 |
| 7 (C) | 153.6 |
| 8 (CH) | 99.9 |
| 9 (C) | 151 |
| 10 (C) | 117.7 |
| 1' (C) | 122.9 |
| 2' (CH) | 130 |
| 3' (CH) | 115.1 |
| 4' (C) | 157.3 |
| 5' (CH) | 115.1 |
| 6' (CH) | 130 |
| 7a (CH3) | 56.1 |
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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.