1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-

Common Name: 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-

Synonyms: 1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3-(4-methoxyphenyl)-

CAS Registry Number:

InChI: InChI=1S/C16H14O4/c1-19-12-7-5-10(6-8-12)14-9-11-3-2-4-13(17)15(11)16(18)20-14/h2-8,14,17H,9H2,1H3

InChIKey: InChIKey=DEFIJGJJJKEYGS-UHFFFAOYSA-N

Formula: C16H14O4

Molecular Weight: 270.280565

Exact Mass: 270.089209

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Valcic, S., Zapp, J., Becker, H. Phytochemistry (1997) 44, 89-99

Species:

Notes: Family : Isochromans, Type : Isocoumarins; 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
1 (C) 169.8
3 (CH) 80.7
4 (CH2) 35
5 (CH) 117.9
6 (CH) 136.2
7 (CH) 116.4
8 (C) 160.1
9 (C) 108.6
10 (C) 139.4
1' (C) 130.1
2' (CH) 127.7
3' (CH) 114.2
4' (C) 162.4
5' (CH) 114.2
6' (CH) 127.7
4'a (CH3) 55.3