Spektraris NMR
Negletin
Common Name: Negletin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
InChIKey: InChIKey=LKOJGSWUMISDOF-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - I.G. Collado, F.A. Macias, G.M. Massanet and F.R. Luis J Nat Prod (1985) 48, 819
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) | 163.2 |
| 3 (CH) | 104.7 |
| 4 (C) | 182.2 |
| 5 (C) | 152.6 |
| 6 (C) | 130.7 |
| 7 (C) | 152.6 |
| 8 (CH) | 94.4 |
| 9 (C) | 157.3 |
| 10 (C) | 104.7 |
| 1' (C) | 131.4 |
| 2' (CH) | 126.4 |
| 3' (CH) | 129.1 |
| 4' (CH) | 132 |
| 5' (CH) | 129.1 |
| 6' (CH) | 126 |
| 6a (CH3) | 60 |
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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.