5-[(2S,3S)-2,3-Bis(methoxymethyl)-4-(3,4-dimethoxyphenyl)butyl]-7-methoxy-1,3-benzodioxole

5-[(2S,3S)-2,3-Bis(methoxymethyl)-4-(3,4-dimethoxyphenyl)butyl]-7-methoxy-1,3-benzodioxole

Common Name: 5-[(2S,3S)-2,3-Bis(methoxymethyl)-4-(3,4-dimethoxyphenyl)butyl]-7-methoxy-1,3-benzodioxole

Synonyms: 5-[(2S,3S)-2,3-Bis(methoxymethyl)-4-(3,4-dimethoxyphenyl)butyl]-7-methoxy-1,3-benzodioxole

CAS Registry Number:

InChI: InChI=1S/C24H32O7/c1-25-13-18(8-16-6-7-20(27-3)21(10-16)28-4)19(14-26-2)9-17-11-22(29-5)24-23(12-17)30-15-31-24/h6-7,10-12,18-19H,8-9,13-15H2,1-5H3/t18-,19-/m1/s1

InChIKey: InChIKey=RCFGIEPQSDGMJJ-RTBURBONSA-N

Formula: C24H32O7

Molecular Weight: 432.5076

Exact Mass: 432.214803

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Satyanarayana, P., Venkateswarlu, S. Tetrahedron (1991) 47, 8931-40

Species:

Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) 135.7
2 (CH) 103.21
3 (C) 143.37
4 (C) 133.26
5 (C) 148.69
6 (CH) 108.29
7 (CH2) 35.49
8 (CH) 40.93
9 (CH2) 72.6
1' (C) 133.95
2' (CH) 112.31
3' (C) 148.85
4' (C) 147.25
5' (CH) 111.15
6' (CH) 121.13
7' (CH2) 34.94
8' (CH) 40.78
9' (CH2) 72.71
3a (CH2) 101.14
5a (CH3) 55.75
9a (CH3) 58.71
3'a (CH3) 55.9
4'a (CH3) 55.5
9'a (CH3) 58.71