Spektraris NMR
Comptonin
Common Name: Comptonin
Synonyms: Comptonin
CAS Registry Number:
InChI: InChI=1S/C17H16O4/c1-10-12(18)8-15-16(17(10)20-2)13(19)9-14(21-15)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3
InChIKey: InChIKey=VWTJLHQGHXGHKG-UHFFFAOYSA-N
Formula: C17H16O4
Molecular Weight: 284.307182
Exact Mass: 284.104859
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - E. Wollenweber, J. Waltr, G. Schilling, Z. Pflanzenphys. Pflanzenphys (1982) 104, 161
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 78.2 |
| 3 (CH2) | 45.1 |
| 4 (C) | 187.9 |
| 5 (C) | 159.6 |
| 6 (C) | 112.3 |
| 7 (C) | 161.7 |
| 8 (CH) | 98.7 |
| 9 (C) | 163 |
| 10 (C) | 107.8 |
| 1' (C) | 139.3 |
| 2' (CH) | 126.5 |
| 3' (CH) | 128.6 |
| 4' (CH) | 128.4 |
| 5' (CH) | 128.6 |
| 6' (CH) | 126.5 |
| 5a (CH3) | 60.5 |
| 6a (CH3) | 7.9 |
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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.