Spektraris NMR
Podophyllic Aldehyde
Common Name: Podophyllic Aldehyde
Synonyms: Podophyllic Aldehyde
CAS Registry Number:
InChI: InChI=1S/C23H22O8/c1-26-18-7-13(8-19(27-2)22(18)28-3)20-15-9-17-16(30-11-31-17)6-12(15)5-14(10-24)21(20)23(25)29-4/h5-10,20-21H,11H2,1-4H3/t20-,21-/m1/s1
InChIKey: InChIKey=GITXTLWTFJXXKT-NHCUHLMSSA-N
Formula: C23H22O8
Molecular Weight: 426.416862
Exact Mass: 426.131468
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) | 133.9 |
| 2 (C) | 133.3 |
| 3 (CH) | 110.1 |
| 4 (C) | 150.5 |
| 5 (C) | 147.5 |
| 6 (CH) | 108.9 |
| 7 (CH) | 145.3 |
| 8 (C) | 125.2 |
| 9 (CH) | 191 |
| 1' (C) | 137.3 |
| 2' (CH) | 105.4 |
| 3' (C) | 153.4 |
| 4' (C) | 137.8 |
| 5' (C) | 153.4 |
| 6' (CH) | 105.4 |
| 7' (CH) | 46.4 |
| 8' (CH) | 44.5 |
| 9' (C) | 172 |
| 4a (CH2) | 101.8 |
| 3'a (CH3) | 56.3 |
| 4'a (CH3) | 60.7 |
| 5'a (CH3) | 56.3 |
| 9'a (CH3) | 52.4 |
