Spektraris NMR
5,7,2',4'-Tetrahydroxy-8-(1,1-dimethyl-2-propenyl)isoflavone
Common Name: 5,7,2',4'-Tetrahydroxy-8-(1,1-dimethyl-2-propenyl)isoflavone
Synonyms: 5,7,2',4'-Tetrahydroxy-8-(1,1-dimethyl-2-propenyl)isoflavone
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-4-20(2,3)17-15(24)8-14(23)16-18(25)12(9-26-19(16)17)11-6-5-10(21)7-13(11)22/h4-9,21-24H,1H2,2-3H3
InChIKey: InChIKey=WFKNFITWOOOTNX-UHFFFAOYSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rahman, M.M., Sarker, S.D., Byres, M., Gray, A.I. J Nat Prod (2004) 67, 402-6
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) | 155.4 |
| 3 (C) | 121.5 |
| 4 (C) | 182.7 |
| 5 (C) | 161.7 |
| 6 (CH) | 101.4 |
| 7 (C) | 164.9 |
| 8 (C) | 112.4 |
| 9 (C) | 157.2 |
| 10 (C) | 106.9 |
| 1' (C) | 110.6 |
| 2' (C) | 158.7 |
| 3' (CH) | 105 |
| 4' (C) | 161.1 |
| 5' (CH) | 108.2 |
| 6' (CH) | 133.6 |
| 1'' (C) | 41.9 |
| 2'' (CH) | 151 |
| 3'' (CH2) | 108.3 |
| 4'' (CH3) | 30 |
| 5'' (CH3) | 30 |
