Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H25N3O9/c1-36-22-7-14(8-23(37-2)27(22)38-3)24-17-10-20-21(40-13-39-20)11-18(17)26-19(25(24)28(32)33)12-30(29-26)15-5-4-6-16(9-15)31(34)35/h4-11,19,24-25H,12-13H2,1-3H3,(H,32,33)/t19-,24+,25-/m0/s1

InChIKey: InChIKey=FFZPKDFKAUAXBE-OWAUWMPXSA-N

Formula: C28H25N3O9

Molecular Weight: 547.513998

Exact Mass: 547.159079

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) 121.7
2 (C) 134
3 (CH) 109.3
4 (C) 147.8
5 (C) 146.9
6 (CH) 103.3
7 (C) 150.8
8 (CH) 40.8
9 (CH2) 54.6
1' (C) 135.1
2' (CH) 107.5
3' (C) 153.2
4' (C) 139
5' (C) 153.2
6' (CH) 107.5
7' (CH) 47.8
8' (CH) 50.2
9' (C) 176.2
4a (CH2) 101.6
9a (C) 149.9
9b (CH) 107.8
9c (C) 149.4
9d (CH) 113.6
9e (CH) 129.7
9f (CH) 118.8
3'a (CH3) 56.4
4'a (CH3) 60.7
5'a (CH3) 56.4