Spektraris NMR
Isoxazolopodophyllal
Common Name: Isoxazolopodophyllal
Synonyms: Isoxazolopodophyllal
CAS Registry Number:
InChI: InChI=1S/C22H21NO7/c1-25-18-4-11(5-19(26-2)22(18)27-3)20-12-6-16-17(29-10-28-16)7-13(12)21-15(9-30-23-21)14(20)8-24/h4-8,14-15,20H,9-10H2,1-3H3/t14-,15-,20+/m0/s1
InChIKey: InChIKey=ZQWIDJNSMNTDST-AUSJPIAWSA-N
Formula: C22H21N1O7
Molecular Weight: 411.405523
Exact Mass: 411.131802
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) | 119.2 |
| 2 (C) | 138.1 |
| 3 (CH) | 109.2 |
| 4 (C) | 150.6 |
| 5 (C) | 147.8 |
| 6 (CH) | 104 |
| 7 (C) | 156.2 |
| 8 (CH) | 42.2 |
| 9 (CH2) | 74.1 |
| 1' (C) | 135 |
| 2' (CH) | 106.9 |
| 3' (C) | 153.5 |
| 4' (C) | 134.4 |
| 5' (C) | 153.5 |
| 6' (CH) | 106.9 |
| 7' (CH) | 46.5 |
| 8' (CH) | 56.1 |
| 9' (CH) | 199.5 |
| 4a (CH2) | 101.7 |
| 3'a (CH3) | 56.4 |
| 4'a (CH3) | 60.7 |
| 5'a (CH3) | 56.4 |
