4-({(3R,4R)-4-[(R)-Acetoxy(3,4-dimethoxyphenyl)methyl]-2-oxotetrahydro-3-furanyl}methyl)-2-methoxyphenyl acetate

4-({(3R,4R)-4-[(R)-Acetoxy(3,4-dimethoxyphenyl)methyl]-2-oxotetrahydro-3-furanyl}methyl)-2-methoxyphenyl acetate

Common Name: 4-({(3R,4R)-4-[(R)-Acetoxy(3,4-dimethoxyphenyl)methyl]-2-oxotetrahydro-3-furanyl}methyl)-2-methoxyphenyl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H28O9/c1-14(26)33-21-8-6-16(11-22(21)30-4)10-18-19(13-32-25(18)28)24(34-15(2)27)17-7-9-20(29-3)23(12-17)31-5/h6-9,11-12,18-19,24H,10,13H2,1-5H3/t18-,19+,24-/m1/s1

InChIKey: InChIKey=JSGLSNVATHERIT-YDIMBITNSA-N

Formula: C25H28O9

Molecular Weight: 472.485383

Exact Mass: 472.173332

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Umehara, K., Sugawa, A., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 1774-9

Species:

Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) 135.8
2 (CH) 113.1
3 (C) 151.1
4 (C) 138.6
5 (CH) 122.5
6 (CH) 121.4
7 (CH2) 34.3
8 (CH) 43.4
9 (C) 177.8
1' (C) 129.8
2' (CH) 109.7
3' (C) 149
4' (C) 149.1
5' (CH) 111.2
6' (CH) 118.7
7' (CH) 75.5
8' (CH) 43.7
9' (CH2) 68
3a (CH3) 55.6
4a (C) 168.8
4b (CH3) 20.5
3'a (CH3) 55.7
4'a (CH3) 55.8
7'a (C) 169.6
7'b (CH3) 20.8