Spektraris NMR
4',7-Dihydroxy-3',5'-dimethoxyisoflavone
Common Name: 4',7-Dihydroxy-3',5'-dimethoxyisoflavone
Synonyms: 4',7-Dihydroxy-3',5'-dimethoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-21-14-5-9(6-15(22-2)17(14)20)12-8-23-13-7-10(18)3-4-11(13)16(12)19/h3-8,18,20H,1-2H3
InChIKey: InChIKey=KAAIDCFNSXASKK-UHFFFAOYSA-N
Formula: C17H14O6
Molecular Weight: 314.29011
Exact Mass: 314.079038
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Chang, L.C., Gerhauser, C., Song, L., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (1997) 60, 869-73
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) | 153.3 |
| 3 (C) | 123.6 |
| 4 (C) | 174.6 |
| 5 (CH) | 127.3 |
| 6 (CH) | 115.2 |
| 7 (C) | 162.5 |
| 8 (CH) | 102.1 |
| 9 (C) | 157.3 |
| 10 (C) | 116.7 |
| 1' (C) | 121.9 |
| 2' (CH) | 106.6 |
| 3' (C) | 147.6 |
| 4' (C) | 135.6 |
| 5' (C) | 147.6 |
| 6' (CH) | 106.6 |
| 3'a (CH3) | 56.1 |
| 5'a (CH3) | 56.1 |
