Spektraris NMR
1β-O-E-cinnamoylpolygodial
Common Name: 1β-O-E-cinnamoylpolygodial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O4/c1-23(2)14-13-21(28-22(27)12-9-17-7-5-4-6-8-17)24(3)19(16-26)18(15-25)10-11-20(23)24/h4-10,12,15-16,19-21H,11,13-14H2,1-3H3/b12-9+/t19-,20-,21+,24+/m0/s1
InChIKey: InChIKey=QTXOFCZHIZFJCA-YVQPOPCBSA-N
Formula: C24H28O4
Molecular Weight: 380.477622
Exact Mass: 380.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Allouche, N., Apel, C., Martin, M.T., Dumontet, V., Gueritte, F., Litaudon, M. Phytochemistry (2009) 70, 546-53
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) | 81.6 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 39.2 |
| 4 (C) | 32.7 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 151.9 |
| 8 (C) | 140.2 |
| 9 (CH) | 59.2 |
| 10 (C) | 42.2 |
| 11 (CH) | 200.2 |
| 12 (CH) | 192.2 |
| 13 (CH3) | 32.5 |
| 14 (CH3) | 22.1 |
| 15 (CH3) | 10.6 |
| 1' (C) | 166 |
| 2' (CH) | 117.8 |
| 3' (CH) | 145.6 |
| 4' (C) | 134.1 |
| 5' (CH) | 128.2 |
| 6' (CH) | 128.8 |
| 7' (CH) | 130.4 |
| 8' (CH) | 128.8 |
| 9' (CH) | 128.2 |
