Spektraris NMR
Forsythialan B
Common Name: Forsythialan B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O7/c1-25-15-7-13(6-14(23)9-15)21-16(10-22)17(11-28-21)20(24)12-4-5-18(26-2)19(8-12)27-3/h4-9,16-17,21-23H,10-11H2,1-3H3/t16-,17-,21+/m0/s1
InChIKey: InChIKey=KTIPQHCMSXAIBC-XGHQBKJUSA-N
Formula: C21H24O7
Molecular Weight: 388.411866
Exact Mass: 388.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piao, X.L., Jang, M.H., Cui, J., Piao, X. Bioorg Med Chem Lett (2008) 18, 1980-4
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-9-Monoepoxylignans; 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) | 129.79 |
| 2 (CH) | 110.67 |
| 3 (C) | 149.27 |
| 4 (C) | 153.71 |
| 5 (CH) | 110.15 |
| 6 (CH) | 123.16 |
| 7 (C) | 197.96 |
| 8 (CH) | 49.66 |
| 9 (CH2) | 70.8 |
| 1' (C) | 132.32 |
| 2' (CH) | 108.97 |
| 3' (C) | 146.85 |
| 4' (CH) | 114.04 |
| 5' (C) | 145.62 |
| 6' (CH) | 120.11 |
| 7' (CH) | 83.88 |
| 8' (CH) | 52.25 |
| 9' (CH2) | 61.42 |
| 3a (CH3) | 56.01 |
| 4a (CH3) | 55.99 |
| 3'a (CH3) | 56.12 |
