Spektraris NMR
1β-O-E-cinnamoyl-5α-hydroxypolygodial
Common Name: 1β-O-E-cinnamoyl-5α-hydroxypolygodial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O5/c1-22(2)13-12-20(29-21(27)10-9-17-7-5-4-6-8-17)23(3)19(16-26)18(15-25)11-14-24(22,23)28/h4-11,15-16,19-20,28H,12-14H2,1-3H3/b10-9+/t19-,20+,23-,24+/m0/s1
InChIKey: InChIKey=YLSLVWQEQBOGHC-LVJAZZQESA-N
Formula: C24H28O5
Molecular Weight: 396.477027
Exact Mass: 396.193674
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) | 77.3 |
| 2 (CH2) | 24 |
| 3 (CH2) | 34.3 |
| 4 (C) | 38 |
| 5 (C) | 78 |
| 6 (CH2) | 32.1 |
| 7 (CH) | 148.1 |
| 8 (C) | 141.2 |
| 9 (CH) | 55 |
| 10 (C) | 46.6 |
| 11 (CH) | 201.2 |
| 12 (CH) | 192.1 |
| 13 (CH3) | 27.1 |
| 14 (CH3) | 25.5 |
| 15 (CH3) | 13.5 |
| 1' (C) | 166 |
| 2' (CH) | 117.8 |
| 3' (CH) | 145.7 |
| 4' (C) | 134.1 |
| 5' (CH) | 128.2 |
| 6' (CH) | 128.8 |
| 7' (CH) | 130.4 |
| 8' (CH) | 128.8 |
| 9' (CH) | 128.2 |
