3-(4-Hydroxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

3-(4-Hydroxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

Common Name: 3-(4-Hydroxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

Synonyms: 3-(4-Hydroxyphenyl)-5-hydroxy-7-(beta-D-glucopyranosyloxy)-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C26H30O11/c1-26(2,34)8-7-14-17(36-25-23(33)22(32)21(31)18(10-27)37-25)9-16(29)19-20(30)15(11-35-24(14)19)12-3-5-13(28)6-4-12/h3-6,9,11,18,21-23,25,27-29,31-34H,7-8,10H2,1-2H3/t18-,21-,22+,23-,25-/m1/s1

InChIKey: InChIKey=TXTMNYOFDDIPOC-WVXUANQFSA-N

Formula: C26H30O11

Molecular Weight: 518.51081

Exact Mass: 518.178812

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Hosny, M., Rosazza, J.P. J Nat Prod (1999) 62, 853-8

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) 154.62
3 (C) 122.9
4 (C) 179.47
5 (C) 162.49
6 (CH) 98.67
7 (C) 162.3
8 (C) 104.75
9 (C) 157.7
10 (C) 106.49
1' (C) 122
2' (CH) 131.1
3' (CH) 115.64
4' (C) 157.76
5' (CH) 115.64
6' (CH) 131.1
1'' (CH) 100.76
2'' (CH) 74.45
3'' (CH) 76.82
4'' (CH) 69.95
5'' (CH) 77.68
6'' (CH2) 61.3
1''' (CH2) 43.16
2''' (CH2) 17.89
3''' (C) 67.82
4''' (CH3) 30.15
5''' (CH3) 28.74