Common Name: Brickellin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O9/c1-24-11-6-9(10(21)7-12(11)25-2)18-20(28-5)17(23)15-13(29-18)8-14(26-3)19(27-4)16(15)22/h6-8,21-22H,1-5H3
InChIKey: InChIKey=USWPTYUGAMOLAB-UHFFFAOYSA-N
Formula: C20H20O9
Molecular Weight: 404.368177
Exact Mass: 404.110732
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harborne, J.B. Pergamon Press, Oxford (1977) 4, 189
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)
Position | PPM |
---|---|
2 (C) | 143 |
3 (C) | 136.6 |
4 (C) | 177.4 |
5 (C) | 151.2 |
6 (C) | 132.6 |
7 (C) | 159 |
8 (CH) | 90.7 |
9 (C) | 155.9 |
10 (C) | 106.3 |
1' (C) | 108.6 |
2' (C) | 152.7 |
3' (CH) | 103 |
4' (C) | 153.9 |
5' (C) | 143 |
6' (CH) | 111.3 |
3a (CH3) | 60.9 |
6a (CH3) | 56.4 |
7a (CH3) | 62.1 |
4'a (CH3) | 56 |
5'a (CH3) | 56.8 |