Spektraris NMR
Hydroxywighteone
Common Name: Hydroxywighteone
Synonyms: Hydroxywighteone
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17-18(19(14)24)20(25)15(10-26-17)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+
InChIKey: InChIKey=AROTXIUFXQZGLT-BIIKFXOESA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Erasto, P., Bojase-Moleta, G., Majinda, R.R. Phytochemistry (2004) 65, 875-80
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) | 153.5 |
| 3 (C) | 123 |
| 4 (C) | 181 |
| 5 (C) | 159.7 |
| 6 (C) | 111.7 |
| 7 (C) | 162.9 |
| 8 (CH) | 92 |
| 9 (C) | 156.2 |
| 10 (C) | 105 |
| 1' (C) | 122.2 |
| 2' (CH) | 129.9 |
| 3' (CH) | 114.8 |
| 4' (C) | 158.2 |
| 5' (CH) | 114.8 |
| 6' (CH) | 129.9 |
| 1'' (CH2) | 20.2 |
| 2'' (CH) | 120.7 |
| 3'' (C) | 136.1 |
| 4'' (CH2) | 66 |
| 5'' (CH3) | 14.4 |
