Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H27N3O9/c1-36-23-8-15(9-24(37-2)28(23)38-3)25-18-11-21-22(41-14-40-21)12-19(18)27-20(26(25)29(33)39-4)13-31(30-27)16-6-5-7-17(10-16)32(34)35/h5-12,20,25-26H,13-14H2,1-4H3/t20-,25+,26-/m0/s1
InChIKey: InChIKey=CMVSQGBQDURZBX-LZYPDUGYSA-N
Formula: C29H27N3O9
Molecular Weight: 561.540615
Exact Mass: 561.174729
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) | 134.2 |
| 3 (CH) | 109.3 |
| 4 (C) | 147.8 |
| 5 (C) | 146.9 |
| 6 (CH) | 103.3 |
| 7 (C) | 151.1 |
| 8 (CH) | 40.9 |
| 9 (CH2) | 54.5 |
| 1' (C) | 135.3 |
| 2' (CH) | 107.2 |
| 3' (C) | 153.2 |
| 4' (C) | 137.8 |
| 5' (C) | 153.2 |
| 6' (CH) | 107.2 |
| 7' (CH) | 47.9 |
| 8' (CH) | 50.4 |
| 9' (C) | 171.8 |
| 4a (CH2) | 101.6 |
| 9a (C) | 149.9 |
| 9b (CH) | 107.5 |
| 9c (C) | 149.4 |
| 9d (CH) | 113.6 |
| 9e (CH) | 129.7 |
| 9f (CH) | 118.7 |
| 3'a (CH3) | 56.3 |
| 4'a (CH3) | 60.7 |
| 5'a (CH3) | 56.3 |
