Spektraris NMR
5,2',4'-Trihydroxy-7-(prenyloxy)isoflavone
Common Name: 5,2',4'-Trihydroxy-7-(prenyloxy)isoflavone
Synonyms: 5,2',4'-Trihydroxy-7-(prenyloxy)isoflavone
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-11(2)5-6-25-13-8-17(23)19-18(9-13)26-10-15(20(19)24)14-4-3-12(21)7-16(14)22/h3-5,7-10,21-23H,6H2,1-2H3
InChIKey: InChIKey=LRFYYSOXBOMSAE-UHFFFAOYSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: C5D5N
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) | 156.3 |
| 3 (C) | 122.4 |
| 4 (C) | 182.3 |
| 5 (C) | 163.6 |
| 6 (CH) | 99.5 |
| 7 (C) | 165.4 |
| 8 (CH) | 93.8 |
| 9 (C) | 158.7 |
| 10 (C) | 107.2 |
| 1' (C) | 110.4 |
| 2' (C) | 158.6 |
| 3' (CH) | 104.8 |
| 4' (C) | 161.2 |
| 5' (CH) | 108.2 |
| 6' (CH) | 133.7 |
| 7a (CH2) | 66.3 |
| 7b (CH) | 120 |
| 7c (C) | 139 |
| 7d (CH3) | 18.5 |
| 7ca (CH3) | 26 |
