Spektraris NMR
Cabreuvin
Common Name: Cabreuvin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10H,1-3H3
InChIKey: InChIKey=UKWLNMIPRJLYGH-UHFFFAOYSA-N
Formula: C18H16O5
Molecular Weight: 312.317323
Exact Mass: 312.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wenkert, E., Gottlieb, H.E. Phytochemistry (1977) 16, 1811-6
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 151.8 |
| 3 (C) | 124.3 |
| 4 (C) | 175.3 |
| 5 (CH) | 127.2 |
| 6 (CH) | 114.2 |
| 7 (C) | 163.5 |
| 8 (CH) | 99.8 |
| 9 (C) | 157.4 |
| 10 (C) | 118 |
| 1' (C) | 124.4 |
| 2' (CH) | 112.3 |
| 3' (C) | 148.4 |
| 4' (C) | 148.7 |
| 5' (CH) | 110.9 |
| 6' (CH) | 120.6 |
| 7a (CH3) | 55.5 |
| 3'a (CH3) | 55.7 |
| 4'a (CH3) | 55.7 |
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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.