4-Phenyl-5-hydroxy-6-(2-methylbutyryl)-3,4,9,10-tetrahydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

4-Phenyl-5-hydroxy-6-(2-methylbutyryl)-3,4,9,10-tetrahydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

Common Name: 4-Phenyl-5-hydroxy-6-(2-methylbutyryl)-3,4,9,10-tetrahydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

Synonyms: 4-Phenyl-5-hydroxy-6-(2-methylbutyryl)-3,4,9,10-tetrahydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

CAS Registry Number:

InChI: InChI=1S/C25H28O5/c1-5-14(2)21(27)20-22(28)19-17(15-9-7-6-8-10-15)13-18(26)29-23(19)16-11-12-25(3,4)30-24(16)20/h6-10,14,17,28H,5,11-13H2,1-4H3

InChIKey: InChIKey=HHPPSFZOJCHNNF-UHFFFAOYSA-N

Formula: C25H28O5

Molecular Weight: 408.487763

Exact Mass: 408.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ramiandrawa, F., Kresch, N., Poissof, J. Tetrahedron (1983) 39, 3923-8

Species:

Notes: Family : Flavonoids, Type : Dihydro-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) 166.8
3 (CH2) 36.5
4 (CH) 34.2
5 (C) 154.3
6 (C) 107.8
7 (C) 160.9
8 (C) 104.6
9 (C) 155.7
10 (C) 100.2
1' (C) 141.2
2' (CH) 126
3' (CH) 127
4' (CH) 128.7
5' (CH) 127
6' (CH) 126
6a (C) 211.1
6b (CH) 46.4
6c (CH2) 26.6
6d (CH3) 11.7
6ba (CH3) 16.4
8a (CH2) 16.4
8b (CH2) 31.2
8c (C) 76.4
8d (CH3) 26.6
8e (CH3) 26.4