Spektraris NMR
Cinnamolide-3b-acetate
Common Name: Cinnamolide-3b-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-10(18)21-14-7-8-17(4)12-9-20-15(19)11(12)5-6-13(17)16(14,2)3/h5,12-14H,6-9H2,1-4H3/t12-,13-,14-,17+/m0/s1
InChIKey: InChIKey=SHNYGCOMKCOSMW-AYMQEEERSA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wube, A.A., Bucar, F., Gibbons, S., Asres, K. Phytochemistry (2005) 66, 2309-15
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 (CH2) | 36.9 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 80.2 |
| 4 (C) | 37.7 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 24.7 |
| 7 (CH) | 135.7 |
| 8 (C) | 127.2 |
| 9 (CH) | 50.6 |
| 10 (C) | 34.1 |
| 11 (CH2) | 66.9 |
| 12 (C) | 169.7 |
| 13 (CH3) | 15.9 |
| 14 (CH3) | 27.6 |
| 15 (CH3) | 13.5 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21.2 |
