Spektraris NMR
5,4',1''-Trihydroxy-6,7-(3'',3''-dimethylchroman)flavone
Common Name: 5,4',1''-Trihydroxy-6,7-(3'',3''-dimethylchroman)flavone
Synonyms: 5,4',1''-Trihydroxy-6,7-(3'',3''-dimethylchroman)flavone
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-20(2)9-13(23)18-16(26-20)8-15-17(19(18)24)12(22)7-14(25-15)10-3-5-11(21)6-4-10/h3-8,13,21,23-24H,9H2,1-2H3/t13-/m1/s1
InChIKey: InChIKey=LNOUAWTWAHZUJH-CYBMUJFWSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Narvaez-Mastache, J.M., Garduno-Ramirez, M.L., Alvarez, L., Delgado, G. J Nat Prod (2006) 69, 1687-91
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 166.1 |
| 3 (CH) | 102.8 |
| 4 (C) | 181.9 |
| 5 (C) | 157.2 |
| 6 (C) | 109 |
| 7 (C) | 163.7 |
| 8 (CH) | 88.8 |
| 9 (C) | 155.6 |
| 10 (C) | 104.6 |
| 1' (C) | 121.1 |
| 2' (CH) | 128.4 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.2 |
| 5' (CH) | 115.9 |
| 6' (CH) | 128.4 |
| 2'' (C) | 70 |
| 3'' (CH2) | 25.9 |
| 4'' (CH) | 91.4 |
| 5'' (CH3) | 25.7 |
| 6'' (CH3) | 24.8 |
