Spektraris NMR
Pulicanadienal B
Common Name: Pulicanadienal B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-12(2)15-7-9-17(4,20)8-5-6-14(11-18)10-16(15)21-13(3)19/h6-7,9,11-12,15-16,20H,5,8,10H2,1-4H3/b9-7+,14-6+/t15-,16+,17+/m0/s1
InChIKey: InChIKey=LJPDGWZMSFNUPH-SEIALCNHSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
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) | 161.6 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 39.9 |
| 4 (C) | 73.6 |
| 5 (CH) | 138.6 |
| 6 (CH) | 121.4 |
| 7 (CH) | 52.8 |
| 8 (CH) | 70.3 |
| 9 (CH2) | 31.9 |
| 10 (C) | 157.6 |
| 11 (CH) | 27.5 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 16.8 |
| 14 (CH) | 194.8 |
| 15 (CH3) | 29.6 |
| 8a (C) | 171.2 |
| 8b (CH3) | 21.2 |
