1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-

1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-

Common Name: 1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-

Synonyms: 1,3-Benzenediol, 5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-

CAS Registry Number:

InChI: InChI=1S/C15H16O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h4-9,16-18H,2-3H2,1H3

InChIKey: InChIKey=XYWLGCOVGGWHHO-UHFFFAOYSA-N

Formula: C15H16O4

Molecular Weight: 260.28571

Exact Mass: 260.104859

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Hernandez-Romero, Y., Rojas, J.I., Castillo, R., Rojas, A., Mata, R. J Nat Prod (2004) 67, 160-7

Species:

Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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) 135.8
2 (CH) 116.1
3 (C) 146.5
4 (C) 147.2
5 (CH) 112.4
6 (CH) 120
α (CH2) 37.6
β (CH2) 38.7
1' (C) 145.1
2' (CH) 107.7
3' (C) 159.2
4' (CH) 101.2
5' (C) 159.2
6' (CH) 107.7
4a (CH3) 56.7