3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

Common Name: 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

Synonyms: 3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

CAS Registry Number:

InChI: InChI=1S/C18H16O6/c1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10/h4-9,19H,1-3H3

InChIKey: InChIKey=KOAAZLIOOBKJEK-UHFFFAOYSA-N

Formula: C18H16O6

Molecular Weight: 328.316728

Exact Mass: 328.094688

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ito A., Chai H.B., Shin Y.G., Garcia R., Mejia M., Gao Q., Fairchild C.R., Lane K.E., Menendez A.T., Farnsworth N.R., Cordell G.A., Pezzuto J.M., Kinghorn A.D. Tetrahedron (2000) 56, 6401

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) 161
3 (CH) 109.6
4 (C) 157.2
5 (C) 160
6 (CH) 95.9
7 (C) 163.6
8 (CH) 93.6
9 (C) 155.4
10 (C) 103.6
1' (C) 133.1
2' (CH) 114.2
3' (C) 144.6
4' (C) 146.6
5' (CH) 112.6
6' (CH) 119.1
5a (CH3) 56
7a (CH3) 55.7
4'a (CH3) 55.6