(2S)-5-hydroxy-7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2-phenyl-2,3-dihydro-4H-chromen-4-one

(2S)-5-hydroxy-7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2-phenyl-2,3-dihydro-4H-chromen-4-one

Common Name: (2S)-5-hydroxy-7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2-phenyl-2,3-dihydro-4H-chromen-4-one

Synonyms: (2S)-5-hydroxy-7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2-phenyl-2,3-dihydro-4H-chromen-4-one

CAS Registry Number:

InChI: InChI=1S/C20H18O5/c1-12(21)8-9-14-18(24-2)11-16(23)19-15(22)10-17(25-20(14)19)13-6-4-3-5-7-13/h3-9,11,17,23H,10H2,1-2H3/b9-8+/t17-/m0/s1

InChIKey: InChIKey=GAGKUHAKUBMORD-IJDCCNJMSA-N

Formula: C20H18O5

Molecular Weight: 338.354676

Exact Mass: 338.115424

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jang, D.S., Park, E.J., Kang, Y.H., Hawthorne, M.E., Vigo, J.S., Graham, J.G., Cabieses, F., Fong, H.H., Mehta, R.G., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 1166-70

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 (CH) 79.6
3 (CH2) 42.9
4 (C) 196.2
5 (C) 165.7
6 (CH) 93.1
7 (C) 167
8 (C) 104.4
9 (C) 161.7
10 (C) 103
1' (C) 137.8
2' (CH) 125.9
3' (CH) 129.02
4' (CH) 129
5' (CH) 129.02
6' (CH) 125.9
1'' (CH) 132.9
2'' (CH) 128.6
3'' (C) 199.8
4'' (CH3) 27.5
7a (CH3) 56.3