Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H18O5/c23-15-8-6-13(7-9-15)10-16-17(24)11-20-21(22(16)26)18(25)12-19(27-20)14-4-2-1-3-5-14/h1-9,11,19,23-24,26H,10,12H2
InChIKey: InChIKey=LZIRKWUJIMCCRF-UHFFFAOYSA-N
Formula: C22H18O5
Molecular Weight: 362.376148
Exact Mass: 362.115424
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - C.D. Hufford, W.L. Lasswell Lloydia (1978) 41, 151
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) | 80 |
| 3 (CH2) | 43.4 |
| 4 (C) | 197 |
| 5 (C) | 162 |
| 6 (C) | 110.1 |
| 7 (CH) | 165 |
| 8 (CH) | 95.4 |
| 9 (C) | 160.8 |
| 10 (C) | 103.1 |
| 1' (C) | 140.3 |
| 2' (CH) | 129.4 |
| 3' (CH) | 130.3 |
| 4' (CH) | 130.3 |
| 5' (CH) | 130.3 |
| 6' (CH) | 129.4 |
| 6a (CH2) | 22.8 |
| 6b (C) | 131.1 |
| 6c (CH) | 127.3 |
| 6d (CH) | 115.6 |
| 6e (C) | 156.2 |
| 6f (CH) | 115.6 |
| 6g (CH) | 127.3 |
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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.