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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C23H26O8/c1-12(11-24)5-6-13-9-14(7-8-16(13)28-2)21-20(27)19(26)18-17(31-21)10-15(25)22(29-3)23(18)30-4/h7-10,12,24-25,27H,5-6,11H2,1-4H3

InChIKey: InChIKey=WLKFOJZKYWLYJJ-UHFFFAOYSA-N

Formula: C23H26O8

Molecular Weight: 430.448625

Exact Mass: 430.162768

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) 152.06
3 (C) 138.19
4 (C) 178.89
5 (C) 159.6
6 (C) 131.3
7 (C) 156.4
8 (CH) 93.9
9 (C) 152.38
10 (C) 105.5
1' (C) 122.23
2' (CH) 129.51
3' (CH) 130.87
4' (C) 156.6
5' (C) 110.04
6' (CH) 127.9
5a (CH3) 60.07
6a (CH3) 60.68
4'a (CH3) 55.4
5'a (CH2) 27.47
5'b (CH2) 33.01
5'c (CH) 35.4
5'd (CH2) 67.7
5'ca (CH3) 16.49