Spektraris NMR
CHEMBL490343
Common Name: CHEMBL490343
Synonyms: CHEMBL490343
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h5-9,21-23H,3-4H2,1-2H3
InChIKey: InChIKey=LGPCDNFADMBMDD-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) | 124.1 |
| 4 (C) | 181.5 |
| 5 (C) | 163.6 |
| 6 (CH) | 100 |
| 7 (C) | 165.8 |
| 8 (CH) | 94.6 |
| 9 (C) | 159.1 |
| 10 (C) | 105.8 |
| 1' (C) | 123.2 |
| 2' (CH) | 122.4 |
| 3' (C) | 121.9 |
| 4' (C) | 142.7 |
| 5' (C) | 146.6 |
| 6' (CH) | 114.3 |
| 1'' (CH2) | 22.9 |
| 2'' (CH2) | 33.5 |
| 3'' (C) | 75.7 |
| 4'' (CH3) | 27 |
| 5'' (CH3) | 27 |
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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.