3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one

3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one

Common Name: 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one

Synonyms: 3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C22H24O8/c1-11(10-23)4-5-12-8-13(6-7-14(12)24)20-19(27)18(26)17-16(30-20)9-15(25)21(28-2)22(17)29-3/h6-9,11,23-25,27H,4-5,10H2,1-3H3

InChIKey: InChIKey=QKQBCMSTNUQLPW-UHFFFAOYSA-N

Formula: C22H24O8

Molecular Weight: 416.422007

Exact Mass: 416.147118

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Anis, I., Anis, F., Ahmed, S., Mustafa, G., Malik, A., Amtul, Z., Atta ur, R. Helv Chim Acta (2001) 84, 649-55

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) 153.65
3 (C) 139.09
4 (C) 180.2
5 (C) 159.6
6 (C) 132.06
7 (C) 158.5
8 (CH) 95.15
9 (C) 153.78
10 (C) 106.4
1' (C) 122.4
2' (CH) 130.8
3' (CH) 131.46
4' (C) 158.6
5' (C) 116.4
6' (CH) 128.9
5a (CH3) 61.15
6a (CH3) 60.7
5'a (CH2) 28.7
5'b (CH2) 34.5
5'c (CH) 36.7
5'd (CH2) 68.4
5'ca (CH3) 17.27