Brickellin

Brickellin

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)

Carbon NMR Peaks

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