Spektraris NMR
1b-(p-Methoxycinnamoyl)-polygodial
Common Name: 1b-(p-Methoxycinnamoyl)-polygodial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O5/c1-24(2)14-13-22(25(3)20(16-27)18(15-26)8-11-21(24)25)30-23(28)12-7-17-5-9-19(29-4)10-6-17/h5-10,12,15-16,20-22H,11,13-14H2,1-4H3/b12-7+/t20-,21-,22+,25+/m0/s1
InChIKey: InChIKey=UQHZAFUJJGHXQS-DFQKUXNPSA-N
Formula: C25H30O5
Molecular Weight: 410.503645
Exact Mass: 410.209324
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Malheiros, A., Filho, V.C., Schmitt, C.B., Santos, A.R.S., Scheidt, C., Calixto, J.B., Monache, F.D., Yunes, R.A. Phytochemistry (2001) 57, 103-7
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) | 81.5 |
| 2 (CH2) | 24.9 |
| 3 (CH2) | 39.8 |
| 4 (C) | 33.3 |
| 5 (CH) | 49 |
| 6 (CH2) | 27.5 |
| 7 (CH) | 153.5 |
| 8 (C) | 140.7 |
| 9 (CH) | 60.2 |
| 10 (C) | 42.8 |
| 11 (CH) | 200.3 |
| 12 (CH) | 193.2 |
| 13 (CH3) | 32.7 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 10.9 |
| 1' (C) | 166.4 |
| 2' (CH) | 116.6 |
| 3' (CH) | 145.3 |
| 4' (C) | 127.9 |
| 5' (CH) | 130.9 |
| 6' (CH) | 115.2 |
| 7' (C) | 162.5 |
| 8' (CH) | 115.2 |
| 9' (CH) | 130.9 |
| 7'a (CH3) | 55.7 |
