Spektraris NMR
5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
Common Name: 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
Synonyms: 5,7,8,3',4'-Pentahydroxy-3,6-dimethoxyflavone
CAS Registry Number:
InChI: InChI=1S/C17H14O9/c1-24-16-10(20)9-11(21)17(25-2)14(26-15(9)12(22)13(16)23)6-3-4-7(18)8(19)5-6/h3-5,18-20,22-23H,1-2H3
InChIKey: InChIKey=UDKMHQFJYPBQRT-UHFFFAOYSA-N
Formula: C17H14O9
Molecular Weight: 362.288325
Exact Mass: 362.063782
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Roitman, J.N., James, L.F. Phytochemistry (1985) 24, 835-48
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) | 155.4 |
| 3 (C) | 137 |
| 4 (C) | 178.3 |
| 5 (C) | 144.5 |
| 6 (C) | 131.1 |
| 7 (C) | 146.7 |
| 8 (C) | 125.2 |
| 9 (C) | 140.7 |
| 10 (C) | 103.3 |
| 1' (C) | 121 |
| 2' (CH) | 115.5 |
| 3' (C) | 145.5 |
| 4' (C) | 148.5 |
| 5' (CH) | 115.5 |
| 6' (CH) | 120.7 |
| 3a (CH3) | 60 |
| 6a (CH3) | 59.5 |
