Spektraris NMR
4'-O-Methylderrone
Common Name: 4'-O-Methylderrone
Synonyms: 4'-O-Methylderrone
CAS Registry Number:
InChI: InChI=1S/C21H18O5/c1-21(2)9-8-14-17(26-21)10-16(22)18-19(23)15(11-25-20(14)18)12-4-6-13(24-3)7-5-12/h4-11,22H,1-3H3
InChIKey: InChIKey=TYGQXJXSHGOEKP-UHFFFAOYSA-N
Formula: C21H18O5
Molecular Weight: 350.365412
Exact Mass: 350.115424
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) | 152.1 |
| 3 (C) | 122.6 |
| 4 (C) | 180.6 |
| 5 (C) | 159.2 |
| 6 (CH) | 99.9 |
| 7 (C) | 162 |
| 8 (C) | 100.7 |
| 9 (C) | 151.8 |
| 10 (C) | 105.7 |
| 1' (C) | 123.2 |
| 2' (CH) | 129.7 |
| 3' (CH) | 113.7 |
| 4' (C) | 159.5 |
| 5' (CH) | 113.7 |
| 6' (CH) | 129.7 |
| 8a (CH) | 114.2 |
| 8b (CH) | 127.1 |
| 8c (C) | 77.8 |
| 8d (CH3) | 27.9 |
| 8e (CH3) | 27.9 |
| 4'a (CH3) | 54.9 |
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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.