1-(5-Hydroxy-2,2-dimethylchroman-6-yl)-3-(4-methoxyphenyl)-propan-1-one

1-(5-Hydroxy-2,2-dimethylchroman-6-yl)-3-(4-methoxyphenyl)-propan-1-one

Common Name: 1-(5-Hydroxy-2,2-dimethylchroman-6-yl)-3-(4-methoxyphenyl)-propan-1-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H24O4/c1-21(2)13-12-17-19(25-21)11-9-16(20(17)23)18(22)10-6-14-4-7-15(24-3)8-5-14/h4-5,7-9,11,23H,6,10,12-13H2,1-3H3

InChIKey: InChIKey=VVSXPJKALFEASW-UHFFFAOYSA-N

Formula: C21H24O4

Molecular Weight: 340.413652

Exact Mass: 340.167459

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Krohn K., Steingrover K., Srinivasa Rao M. Phytochemistry (2002) 61, 931-6

Species:

Notes: Family : Flavonoids, Type : Chalconoids; 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) 133.4
2 (CH) 129.7
3 (CH) 114.4
4 (C) 158.4
5 (CH) 114.4
6 (CH) 129.7
α (CH2) 40.2
β (CH2) 30.1
1' (C) 112.5
2' (C) 161
3' (C) 109.58
4' (C) 163.2
5' (CH) 109.57
6' (CH) 129.2
β' (C) 204.2
2'' (C) 76.1
3'' (CH2) 32.2
4'' (CH2) 16.7
5'' (CH3) 27.1
6'' (CH3) 27.1
4a (CH3) 55.7