Spektraris NMR
5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
Common Name: 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
Synonyms: 5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone
CAS Registry Number:
InChI: InChI=1S/C17H12O8/c1-22-17-14(21)12-10(5-11-16(13(12)20)24-6-23-11)25-15(17)7-2-3-8(18)9(19)4-7/h2-5,18-20H,6H2,1H3
InChIKey: InChIKey=BBZORTSKYSEICL-UHFFFAOYSA-N
Formula: C17H12O8
Molecular Weight: 344.273039
Exact Mass: 344.053217
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Burns, M.K., Coffin, J.M., Kurobane, I., Vining, L.C., McInnes, A.G., Smith, D.G., Walter, J.A. J Chem Soc, Perkin Trans 1 (1981) 0, 1411-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 153.3 |
| 3 (C) | 137.5 |
| 4 (C) | 178.3 |
| 5 (C) | 151.5 |
| 6 (C) | 129 |
| 7 (C) | 140.4 |
| 8 (CH) | 89.3 |
| 9 (C) | 155.9 |
| 10 (C) | 107 |
| 1' (C) | 120.5 |
| 2' (CH) | 115.4 |
| 3' (C) | 145.1 |
| 4' (C) | 148.7 |
| 5' (CH) | 115.6 |
| 6' (CH) | 120.5 |
| 3a (CH3) | 59.5 |
| 6a (CH2) | 102.7 |
