5-Hydroxy-6-(4-hydroxy-3-methylbutyryl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

5-Hydroxy-6-(4-hydroxy-3-methylbutyryl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

Common Name: 5-Hydroxy-6-(4-hydroxy-3-methylbutyryl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

Synonyms: 5-Hydroxy-6-(4-hydroxy-3-methylbutyryl)-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

CAS Registry Number:

InChI: InChI=1S/C25H24O6/c1-14(13-26)11-18(27)21-22(29)16-9-10-25(2,3)31-23(16)20-17(12-19(28)30-24(20)21)15-7-5-4-6-8-15/h4-10,12,14,26,29H,11,13H2,1-3H3

InChIKey: InChIKey=ZLTABHWOTHYCCO-UHFFFAOYSA-N

Formula: C25H24O6

Molecular Weight: 420.455405

Exact Mass: 420.157289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cruz F.G., Moreira L.M., David J.M., Guedes M.L.S., Chavez J.P. Phytochemistry (1998) 47, 1363

Species:

Notes: Family : Flavonoids, Type : Neoflavonoids; 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) 160.1
3 (CH) 112.2
4 (C) 157.3
5 (C) 157.2
6 (C) 106.5
7 (C) 164.6
8 (C) 104.7
9 (C) 157.2
10 (C) 102.8
1' (C) 140.4
2' (CH) 127.6
3' (CH) 128.2
4' (CH) 128.4
5' (CH) 128.2
6' (CH) 127.6
6a (CH) 115.8
6b (CH) 127.4
6c (C) 79.8
6d (CH3) 28
6ca (CH3) 28
8a (C) 206.7
8b (CH2) 49.4
8c (CH) 34
8d (CH2) 68.7
8ca (CH3) 17