Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-11(19)22-16-6-4-3-5-14(16)18-10-15(20)13-8-7-12(21-2)9-17(13)23-18/h3-9,18H,10H2,1-2H3
InChIKey: InChIKey=BWVWRIOEAUYKEP-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Pelter, A., Ward, R.S., Gray T.I. J Chem Soc, Perkin Trans 1 (1976) 0, 2475
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) | 75.1 |
| 3 (CH2) | 43.1 |
| 4 (C) | 190 |
| 5 (CH) | 128.6 |
| 6 (CH) | 110.3 |
| 7 (C) | 166 |
| 8 (CH) | 100.8 |
| 9 (C) | 163.2 |
| 10 (C) | 114.6 |
| 1' (C) | 130.6 |
| 2' (C) | 147.6 |
| 3' (CH) | 122.9 |
| 4' (CH) | 129.5 |
| 5' (CH) | 127.1 |
| 6' (CH) | 126.4 |
| 7a (CH3) | 55.6 |
| 2'a (C) | 168.9 |
| 2'b (CH3) | 20.9 |
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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.