4-[[2beta-(1,3-Benzodioxole-5-yl)-3alpha-(beta-D-glucopyranosyloxymethyl)tetrahydrofuran-4alpha-yl]methyl]-2-methoxyphenol

4-[[2beta-(1,3-Benzodioxole-5-yl)-3alpha-(beta-D-glucopyranosyloxymethyl)tetrahydrofuran-4alpha-yl]methyl]-2-methoxyphenol

Common Name: 4-[[2beta-(1,3-Benzodioxole-5-yl)-3alpha-(beta-D-glucopyranosyloxymethyl)tetrahydrofuran-4alpha-yl]methyl]-2-methoxyphenol

Synonyms: 4-[[2beta-(1,3-Benzodioxole-5-yl)-3alpha-(beta-D-glucopyranosyloxymethyl)tetrahydrofuran-4alpha-yl]methyl]-2-methoxyphenol

CAS Registry Number:

InChI: InChI=1S/C26H32O11/c1-32-19-7-13(2-4-17(19)28)6-15-10-33-25(14-3-5-18-20(8-14)36-12-35-18)16(15)11-34-26-24(31)23(30)22(29)21(9-27)37-26/h2-5,7-8,15-16,21-31H,6,9-12H2,1H3/t15-,16-,21-,22-,23+,24-,25+,26-/m1/s1

InChIKey: InChIKey=ZZPNAGXFJQHNAE-DTIHIKGDSA-N

Formula: C26H32O11

Molecular Weight: 520.526692

Exact Mass: 520.194462

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Pu, J.X., Xiao, W.L., Li, H.M., Huang, S.X., Li, S.H., Sun, H.D. Helv Chim Acta (2007) 90, 723-9

Species:

Notes: Family : Lignans, Type : Lignans, Group : 7-9-Monoepoxylignans; 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) 133.6
2 (CH) 113.4
3 (C) 149
4 (C) 145.8
5 (CH) 116.2
6 (CH) 122.2
7 (CH2) 33.8
8 (CH) 43.8
9 (CH2) 73.7
1' (C) 138.4
2' (CH) 107.4
3' (C) 149.2
4' (C) 148.4
5' (CH) 108.8
6' (CH) 120.4
7' (CH) 84.1
8' (CH) 51.8
9' (CH2) 68.4
1'' (CH) 104.7
2'' (CH) 75.2
3'' (CH) 78.1
4'' (CH) 71.7
5'' (CH) 78
6'' (CH2) 62.8
3a (CH3) 56.5
3'a (CH2) 102.3