Spektraris NMR
4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
Common Name: 4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O5/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8-9,17-18,20H,4,7H2,1H3
InChIKey: InChIKey=PDZBWDAJMIPJSK-UHFFFAOYSA-N
Formula: C16H16O5
Molecular Weight: 288.295851
Exact Mass: 288.099774
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Seidel, V., Bailleul, F., Waterman, P.G. Phytochemistry (2000) 55, 439-46
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 133.2 |
| 2 (CH) | 130.6 |
| 3 (CH) | 116.9 |
| 4 (C) | 157.7 |
| 5 (CH) | 116.9 |
| 6 (CH) | 130.6 |
| α (CH2) | 47.2 |
| β (CH2) | 31 |
| 1' (C) | 106 |
| 2' (C) | 168.8 |
| 3' (CH) | 97.6 |
| 4' (C) | 167.2 |
| 5' (CH) | 92.8 |
| 6' (C) | 164.6 |
| β' (C) | 205.3 |
| 6'a (CH3) | 56.1 |
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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.