Spektraris NMR
Gossypetin 3,3'-dimethyl ether
Common Name: Gossypetin 3,3'-dimethyl ether
Synonyms: Gossypetin 3,3'-dimethyl ether
CAS Registry Number:
InChI: InChI=1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-17(24-2)14(22)12-9(19)6-10(20)13(21)16(12)25-15/h3-6,18-21H,1-2H3
InChIKey: InChIKey=PWJLQVDWQPUCIF-UHFFFAOYSA-N
Formula: C17H14O8
Molecular Weight: 346.28892
Exact Mass: 346.068867
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) | 155.2 |
| 3 (C) | 137.5 |
| 4 (C) | 178.1 |
| 5 (C) | 152.8 |
| 6 (CH) | 98.5 |
| 7 (C) | 153.3 |
| 8 (C) | 124.7 |
| 9 (C) | 143.9 |
| 10 (C) | 103.9 |
| 1' (C) | 121.1 |
| 2' (CH) | 112.3 |
| 3' (C) | 147.4 |
| 4' (C) | 149.7 |
| 5' (CH) | 115.6 |
| 6' (CH) | 122.4 |
| 3a (CH3) | 59.7 |
| 3'a (CH3) | 55.8 |
