2,2-Dimethyl-5-hydroxy-6-[4-(trans-cinnamoyloxy)isovaleryl]-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

2,2-Dimethyl-5-hydroxy-6-[4-(trans-cinnamoyloxy)isovaleryl]-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

Common Name: 2,2-Dimethyl-5-hydroxy-6-[4-(trans-cinnamoyloxy)isovaleryl]-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

Synonyms: 2,2-Dimethyl-5-hydroxy-6-[4-(trans-cinnamoyloxy)isovaleryl]-10-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one

CAS Registry Number:

InChI: InChI=1S/C34H30O7/c1-21(20-39-27(36)15-14-22-10-6-4-7-11-22)18-26(35)30-31(38)24-16-17-34(2,3)41-32(24)29-25(19-28(37)40-33(29)30)23-12-8-5-9-13-23/h4-17,19,21,38H,18,20H2,1-3H3/b15-14+

InChIKey: InChIKey=DFLKNPBHNWMIQQ-CCEZHUSRSA-N

Formula: C34H30O7

Molecular Weight: 550.599078

Exact Mass: 550.199153

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) 159.2
3 (CH) 112.6
4 (C) 156.5
5 (C) 157
6 (C) 106.4
7 (C) 164
8 (C) 104.8
9 (C) 157
10 (C) 102.9
1' (C) 140.5
2' (CH) 127.7
3' (CH) 128.1
4' (CH) 128.3
5' (CH) 128.1
6' (CH) 127.7
6a (CH) 115.8
6b (CH) 127.3
6c (C) 79.7
6d (CH3) 28
6ca (CH3) 28
8a (C) 205.4
8b (CH2) 49.3
8c (CH) 30.8
8d (CH2) 69.4
8e (C) 167.4
8f (CH) 118.6
8g (CH) 145.2
8h (C) 135.1
8i (CH) 128.7
8j (CH) 129.3
8k (CH) 130.7
8l (CH) 129.3
8m (CH) 128.7
8ca (CH3) 17.9