Spektraris NMR
1b-O-(p-Methoxy-(E)-cinnamoyl-bemadienolide 5
Common Name: 1b-O-(p-Methoxy-(E)-cinnamoyl-bemadienolide 5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-24(2)14-13-21(25(3)19-15-29-23(27)18(19)10-11-20(24)25)30-22(26)12-7-16-5-8-17(28-4)9-6-16/h5-12,20-21H,13-15H2,1-4H3/b12-7+/t20-,21+,25+/m0/s1
InChIKey: InChIKey=QUYNMBZRMCYARM-BRWGWCLTSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fomekong-Fotsop, D., Roussi, F., Callonec, C.L., Bousserouel, H., Litaudon, M., Guéritte, F. Tetrahedron (2008) 64, 2192-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH) | 76.6 |
| 2 (CH2) | 24.4 |
| 3 (CH2) | 38.9 |
| 4 (C) | 32.8 |
| 5 (CH) | 52.2 |
| 6 (CH) | 130.9 |
| 7 (CH) | 118.3 |
| 8 (C) | 123.9 |
| 9 (C) | 166.8 |
| 10 (C) | 42.2 |
| 11 (CH2) | 69.1 |
| 12 (C) | 171.6 |
| 13 (CH3) | 32 |
| 14 (CH3) | 23 |
| 15 (CH3) | 11.3 |
| 1' (C) | 166.6 |
| 2' (CH) | 114.9 |
| 3' (CH) | 145.9 |
| 4' (C) | 126.9 |
| 5' (CH) | 130.1 |
| 6' (CH) | 114.6 |
| 7' (C) | 161.9 |
| 8' (CH) | 114.6 |
| 9' (CH) | 130.1 |
| 7'a (CH3) | 55.6 |
