Spektraris NMR
Isokaemferide
Common Name: Isokaemferide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
InChIKey: InChIKey=VJJZJBUCDWKPLC-UHFFFAOYSA-N
Formula: C16H12O6
Molecular Weight: 300.263493
Exact Mass: 300.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Macias, F.A., Massanet, G.M., Luis, F.R. J Nat Prod (1985) 48, 819-22
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 157.3 |
| 3 (C) | 139.4 |
| 4 (C) | 179.6 |
| 5 (C) | 163.1 |
| 6 (CH) | 100.7 |
| 7 (C) | 167.1 |
| 8 (CH) | 95.7 |
| 9 (C) | 158.3 |
| 10 (C) | 105.7 |
| 1' (C) | 122.4 |
| 2' (CH) | 131.9 |
| 3' (CH) | 117.5 |
| 4' (C) | 162.1 |
| 5' (CH) | 117.5 |
| 6' (CH) | 131.9 |
| 3a (CH3) | 61.5 |
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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.