Methyl (5R,6S,7R)-7-{(E)-[(allyloxy)imino]methyl}-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate

Methyl (5R,6S,7R)-7-{(E)-[(allyloxy)imino]methyl}-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate

Common Name: Methyl (5R,6S,7R)-7-{(E)-[(allyloxy)imino]methyl}-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H29NO8/c1-6-7-35-27-13-17-8-15-9-19-20(34-14-33-19)12-18(15)23(24(17)26(28)32-5)16-10-21(29-2)25(31-4)22(11-16)30-3/h6,9-13,17,23-24H,1,7-8,14H2,2-5H3/b27-13+/t17?,23-,24-/m1/s1

InChIKey: InChIKey=GDVXTMLHMKUGAU-GFOJKOOVSA-N

Formula: C26H29N1O8

Molecular Weight: 483.511398

Exact Mass: 483.189317

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Castro, M.A., Miguel del Corral, M., Lopez-Vazquez, L., Garcia, P.A., San Feliciano, A. Magn Reson Chem (1985) 23, 389

Species:

Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) 127.4
2 (C) 129.4
3 (CH) 109.7
4 (C) 146.6
5 (C) 146.6
6 (CH) 108.2
7 (CH2) 31.9
8 (CH) 34.6
9 (CH) 150.9
1' (C) 140.5
2' (CH) 106.6
3' (C) 153.3
4' (C) 137.5
5' (C) 153.3
6' (CH) 106.6
7' (CH) 45.8
8' (CH) 51
9' (C) 172.7
4a (CH2) 100.8
9a (CH2) 74.5
9b (CH) 117.3
9c (CH2) 134.2
3'a (CH3) 56.4
4'a (CH3) 60.7
5'a (CH3) 56.4
9'a (CH3) 51.7