7, 5'-Dihydroxy-3'-methoxy-isoflavone-7-O-Beta-D-glucopyranoside

7, 5'-Dihydroxy-3'-methoxy-isoflavone-7-O-Beta-D-glucopyranoside

Common Name: 7, 5'-Dihydroxy-3'-methoxy-isoflavone-7-O-Beta-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H22O10/c1-29-13-5-10(4-11(24)6-13)15-9-30-16-7-12(2-3-14(16)18(15)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1

InChIKey: InChIKey=MMZAWANLDLVWNL-MIUGBVLSSA-N

Formula: C22H22O10

Molecular Weight: 446.404936

Exact Mass: 446.121297

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Du, X., Bai, Y., Liang, H., Wang, Z., Zhao, Y., Zhang, Q., Huang, L. Magn Reson Chem (2006) 44, 708-12

Species:

Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) 153.4
3 (C) 124.4
4 (C) 174.5
5 (CH) 126.9
6 (CH) 115.5
7 (C) 161.3
8 (CH) 103.4
9 (C) 156.9
10 (C) 118.4
1' (C) 123.5
2' (CH) 112
3' (C) 146
4' (CH) 116.4
5' (C) 147.5
6' (CH) 119.6
1'' (CH) 100
2'' (CH) 73.1
3'' (CH) 76.4
4'' (CH) 69.6
5'' (CH) 77.1
6'' (CH2) 60.6
3'b (CH3) 55.7