Spektraris NMR
Pulicanadienal A
Common Name: Pulicanadienal A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-11(2)13-6-8-15(3,18)7-4-5-12(10-16)9-14(13)17/h5-6,8,10-11,13-14,17-18H,4,7,9H2,1-3H3/b8-6+,12-5+/t13-,14+,15+/m0/s1
InChIKey: InChIKey=MRJPLQZXCJJMNP-CPQUPJPTSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Lopez, M., Perez, F.J., Gonzalez-Platas, J., Quintana, J., Estevez, F., Leon, F., Bermejo, J. J Nat Prod (2005) 68, 523-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 163.7 |
| 2 (CH2) | 25 |
| 3 (CH2) | 41 |
| 4 (C) | 73.6 |
| 5 (CH) | 139.7 |
| 6 (CH) | 122.2 |
| 7 (CH) | 55.7 |
| 8 (CH) | 66.7 |
| 9 (CH2) | 32.1 |
| 10 (C) | 139.7 |
| 11 (CH) | 26.6 |
| 12 (CH3) | 21.7 |
| 13 (CH3) | 16.4 |
| 14 (CH) | 199.5 |
| 15 (CH3) | 29.8 |
