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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C24H25NO8/c1-12(26)30-9-16-17-10-33-25-23(17)15-8-19-18(31-11-32-19)7-14(15)22(16)13-5-20(27-2)24(29-4)21(6-13)28-3/h5-8,16-17,22H,9-11H2,1-4H3/t16-,17-,22+/m0/s1

InChIKey: InChIKey=PZTOWOHGAQJQCB-PNLZDCPESA-N

Formula: C24H25N1O8

Molecular Weight: 455.458163

Exact Mass: 455.158017

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) 118.9
2 (C) 138
3 (CH) 109.4
4 (C) 150.6
5 (C) 147.6
6 (CH) 104.1
7 (C) 156.9
8 (CH) 41.5
9 (CH2) 73.7
1' (C) 136
2' (CH) 107.5
3' (C) 153.4
4' (C) 134.9
5' (C) 153.4
6' (CH) 107.5
7' (CH) 44.6
8' (CH) 48.2
9' (CH2) 65.4
4a (CH2) 101.6
3'a (CH3) 56.4
4'a (CH3) 60.8
5'a (CH3) 56.4
9'a (C) 170.3
9'b (CH3) 20.7