4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-galactopyranosyloxy)-7-methoxy-2H-1-benzopyran-2-one

4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-galactopyranosyloxy)-7-methoxy-2H-1-benzopyran-2-one

Common Name: 4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-galactopyranosyloxy)-7-methoxy-2H-1-benzopyran-2-one

Synonyms: 4-(3,4-Dihydroxyphenyl)-5-(6-O-acetyl-beta-D-galactopyranosyloxy)-7-methoxy-2H-1-benzopyran-2-one

CAS Registry Number:

InChI: InChI=1S/C24H24O12/c1-10(25)33-9-18-21(29)22(30)23(31)24(36-18)35-17-7-12(32-2)6-16-20(17)13(8-19(28)34-16)11-3-4-14(26)15(27)5-11/h3-8,18,21-24,26-27,29-31H,9H2,1-2H3/t18-,21+,22+,23-,24-/m1/s1

InChIKey: InChIKey=IHKNBCYHNGYRCB-VLZGJKPMSA-N

Formula: C24H24O12

Molecular Weight: 504.441099

Exact Mass: 504.126776

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Mata R., Calzada F., Garcia M.R. J Nat Prod (1988) 51, 851

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) 159.46
3 (CH) 112.28
4 (C) 156.37
5 (C) 155.36
6 (CH) 98.94
7 (C) 162.66
8 (CH) 95.05
9 (C) 155.67
10 (C) 103.5
1' (C) 130.44
2' (CH) 114.76
3' (C) 144.13
4' (C) 145.75
5' (CH) 115.54
6' (CH) 119.17
5a (CH) 100.8
5b (CH) 70.06
5c (CH) 72.66
5d (CH) 68.22
5e (CH) 72.81
5f (CH2) 63.52
5g (C) 170.12
5h (CH3) 20.35
7a (CH3) 55.8