3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin

3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin

Common Name: 3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin

Synonyms: 3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin

CAS Registry Number:

InChI: InChI=1S/C17H14O6/c1-21-10-6-14(22-2)17-11(8-16(20)23-15(17)7-10)9-3-4-12(18)13(19)5-9/h3-8,18-19H,1-2H3

InChIKey: InChIKey=WRWXEWJZGBTCEB-UHFFFAOYSA-N

Formula: C17H14O6

Molecular Weight: 314.29011

Exact Mass: 314.079038

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Delle Monache G., Messana I., Botta B., Gacs-Baitz E. Magn Reson Chem (1989) 0, 1181

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) 159.7
3 (CH) 111.3
4 (C) 155.5
5 (C) 158.2
6 (CH) 95.8
7 (C) 163
8 (CH) 93.7
9 (C) 156.7
10 (C) 103
1' (C) 129.6
2' (CH) 115.1
3' (C) 144.2
4' (C) 145.6
5' (CH) 114.6
6' (CH) 118.8
5a (CH3) 55.6
7a (CH3) 55.7