Spektraris NMR
Pulicanadiene A
Common Name: Pulicanadiene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O6/c1-11(2)18-16(24-13(4)20)9-12(3)7-6-8-15(19(22)23)10-17(18)25-14(5)21/h8-9,11,16-18H,6-7,10H2,1-5H3,(H,22,23)/b12-9+,15-8+/t16-,17-,18-/m1/s1
InChIKey: InChIKey=DMIGIXZMNGJDMW-JJRPHXORSA-N
Formula: C19H28O6
Molecular Weight: 352.422753
Exact Mass: 352.188589
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) | 141.6 |
| 2 (CH2) | 26.7 |
| 3 (CH2) | 36.5 |
| 4 (C) | 132.2 |
| 5 (CH) | 123.7 |
| 6 (CH) | 70 |
| 7 (CH) | 52.2 |
| 8 (CH) | 70.1 |
| 9 (CH2) | 31.6 |
| 10 (C) | 137.3 |
| 11 (CH) | 26.7 |
| 12 (CH3) | 22.4 |
| 13 (CH3) | 21.8 |
| 14 (C) | 173 |
| 15 (CH3) | 18 |
| 6a (C) | 169.1 |
| 6b (CH3) | 20.6 |
| 8a (C) | 169.1 |
| 8b (CH3) | 20.6 |
