(3aS)-5alpha-(3,4,5-Trimethoxyphenyl)-3,3aalpha,4,5-tetrahydro-8H-2,7,9-trioxa-1-azadicyclopenta[a,g]naphthalene-4alpha-carboxylic acid methyl ester

(3aS)-5alpha-(3,4,5-Trimethoxyphenyl)-3,3aalpha,4,5-tetrahydro-8H-2,7,9-trioxa-1-azadicyclopenta[a,g]naphthalene-4alpha-carboxylic acid methyl ester

Common Name: (3aS)-5alpha-(3,4,5-Trimethoxyphenyl)-3,3aalpha,4,5-tetrahydro-8H-2,7,9-trioxa-1-azadicyclopenta[a,g]naphthalene-4alpha-carboxylic acid methyl ester

Synonyms: (3aS)-5alpha-(3,4,5-Trimethoxyphenyl)-3,3aalpha,4,5-tetrahydro-8H-2,7,9-trioxa-1-azadicyclopenta[a,g]naphthalene-4alpha-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C23H23NO8/c1-26-17-5-11(6-18(27-2)22(17)28-3)19-12-7-15-16(31-10-30-15)8-13(12)21-14(9-32-24-21)20(19)23(25)29-4/h5-8,14,19-20H,9-10H2,1-4H3/t14-,19+,20-/m0/s1

InChIKey: InChIKey=ADSGJCGMAXYOEA-KPOBHBOGSA-N

Formula: C23H23N1O8

Molecular Weight: 441.431545

Exact Mass: 441.142367

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) 119.1
2 (C) 138.1
3 (CH) 109.2
4 (C) 150.5
5 (C) 147.7
6 (CH) 104.1
7 (C) 156.4
8 (CH) 43.6
9 (CH2) 74.5
1' (C) 135.1
2' (CH) 107.2
3' (C) 153.2
4' (C) 134.9
5' (C) 153.2
6' (CH) 107.2
7' (CH) 48.1
8' (CH) 50.1
9' (C) 171.4
4a (CH2) 101.9
3'a (CH3) 56.3
4'a (CH3) 60.7
5'a (CH3) 56.3
9'a (CH3) 51.9