Spektraris NMR
Casticin
Common Name: Casticin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey: InChIKey=PJQLSMYMOKWUJG-UHFFFAOYSA-N
Formula: C19H18O8
Molecular Weight: 374.342155
Exact Mass: 374.100168
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Brown, G.D., Liang, G.Y., Sy, L.K. Phytochemistry (2003) 64, 303-23
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 155.7 |
| 3 (C) | 139 |
| 4 (C) | 179 |
| 5 (C) | 152.7 |
| 6 (C) | 132.3 |
| 7 (C) | 158.8 |
| 8 (CH) | 90.4 |
| 9 (C) | 106.6 |
| 10 (C) | 152.4 |
| 1' (C) | 123.6 |
| 2' (CH) | 114.4 |
| 3' (C) | 145.6 |
| 4' (C) | 148.8 |
| 5' (CH) | 110.4 |
| 6' (CH) | 121.6 |
| 3a (CH3) | 60.2 |
| 6a (CH3) | 60.9 |
| 7a (CH3) | 56.3 |
| 4'a (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.