Spektraris NMR
7,4'-Dimethoxy-5'-hydroxy-4-phenyl-5,2'-oxidocoumarin
Common Name: 7,4'-Dimethoxy-5'-hydroxy-4-phenyl-5,2'-oxidocoumarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H12O6/c1-20-8-3-14-17-10(6-16(19)23-15(17)4-8)9-5-11(18)13(21-2)7-12(9)22-14/h3-7,18H,1-2H3
InChIKey: InChIKey=ZXZGQGQLKDSDFC-UHFFFAOYSA-N
Formula: C17H12O6
Molecular Weight: 312.274229
Exact Mass: 312.063388
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Mata R., Calzada F., Garcia M.R., Reguero M.T. J Nat Prod (1987) 50, 866
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 (C) | 160.9 |
| 3 (CH) | 100.51 |
| 4 (C) | 153.7 |
| 5 (C) | 150.49 |
| 6 (CH) | 96.41 |
| 7 (C) | 163.02 |
| 8 (CH) | 93.12 |
| 9 (C) | 154.5 |
| 10 (C) | 99.8 |
| 1' (C) | 107.14 |
| 2' (C) | 146.32 |
| 3' (CH) | 96 |
| 4' (C) | 144.31 |
| 5' (C) | 141 |
| 6' (CH) | 108.7 |
| 7a (CH3) | 56.14 |
| 4'a (CH3) | 56.14 |
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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.