Spektraris NMR
Ficuisoflavone
Common Name: Ficuisoflavone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-20(2)17(23)6-11-5-10(3-4-15(11)26-20)13-9-25-16-8-12(21)7-14(22)18(16)19(13)24/h3-5,7-9,17,21-23H,6H2,1-2H3/t17-/m0/s1
InChIKey: InChIKey=HUHGGORLMLOUCC-KRWDZBQOSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. J Nat Prod (1997) 60, 292-3
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) | 181.6 |
| 5 (C) | 163.9 |
| 6 (CH) | 99.8 |
| 7 (C) | 165 |
| 8 (CH) | 94.4 |
| 9 (C) | 159 |
| 10 (C) | 106.1 |
| 1' (C) | 132.7 |
| 2' (CH) | 129.2 |
| 3' (C) | 123.2 |
| 4' (C) | 157.1 |
| 5' (CH) | 116.8 |
| 6' (CH) | 127.8 |
| 1'' (CH2) | 34.5 |
| 2'' (CH) | 80.9 |
| 3'' (C) | 72.9 |
| 4'' (CH3) | 25.5 |
| 5'' (CH3) | 25.4 |
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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.