Spektraris NMR
Calopogonium isoflavone A
Common Name: Calopogonium isoflavone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O4/c1-21(2)11-10-15-18(25-21)9-8-16-19(22)17(12-24-20(15)16)13-4-6-14(23-3)7-5-13/h4-12H,1-3H3
InChIKey: InChIKey=QLPJSBWLIFSIMS-UHFFFAOYSA-N
Formula: C21H18O4
Molecular Weight: 334.366007
Exact Mass: 334.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vilain, C., Jadot, J. Bull Soc Chim Belg (1977) 86, 473
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) | 151.6 |
| 3 (C) | 124.6 |
| 4 (C) | 175.7 |
| 5 (CH) | 126.6 |
| 6 (CH) | 114.8 |
| 7 (C) | 157 |
| 8 (C) | 109.2 |
| 9 (C) | 152.5 |
| 10 (C) | 118.3 |
| 1' (C) | 124.2 |
| 2' (CH) | 130.1 |
| 3' (CH) | 113.8 |
| 4' (C) | 159.7 |
| 5' (CH) | 113.8 |
| 6' (CH) | 130.1 |
| 8a (CH) | 115.1 |
| 8b (CH) | 129.9 |
| 8c (C) | 77.6 |
| 8d (CH3) | 17.8 |
| 8e (CH3) | 17.8 |
| 4'a (CH3) | 54.8 |
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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.