Spektraris NMR
Glycyrrhisoflavone
Common Name: Glycyrrhisoflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChIKey: InChIKey=JOQWUUJQWPZLAT-UHFFFAOYSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Salem, M.M., Werbovetz, K.A. J Nat Prod (2006) 69, 43-9
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) | 154.2 |
| 3 (C) | 124.3 |
| 4 (C) | 181.6 |
| 5 (C) | 163.9 |
| 6 (CH) | 99.8 |
| 7 (C) | 165.1 |
| 8 (CH) | 94.4 |
| 9 (C) | 159 |
| 10 (C) | 106 |
| 1' (C) | 122.7 |
| 2' (CH) | 122.1 |
| 3' (C) | 128.8 |
| 4' (C) | 144.9 |
| 5' (C) | 144.2 |
| 6' (CH) | 114.7 |
| 1'' (CH2) | 29 |
| 2'' (CH) | 123.7 |
| 3'' (C) | 132.3 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.9 |
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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.