Spektraris NMR
Pulicanadiene A
Common Name: Pulicanadiene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-12(2)19-17(25-14(4)21)10-13(3)8-7-9-16(20(23)24-6)11-18(19)26-15(5)22/h9-10,12,17-19H,7-8,11H2,1-6H3/b13-10+,16-9+/t17-,18-,19-/m1/s1
InChIKey: InChIKey=KKJYVQZICIJYST-ORRVAPTGSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
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) | 138.6 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 37 |
| 4 (C) | 132.8 |
| 5 (CH) | 123.3 |
| 6 (CH) | 69.9 |
| 7 (CH) | 53 |
| 8 (CH) | 70.6 |
| 9 (CH2) | 32 |
| 10 (C) | 137.4 |
| 11 (CH) | 26.5 |
| 12 (CH3) | 22.2 |
| 13 (CH3) | 21.7 |
| 14 (C) | 168.7 |
| 15 (CH3) | 20.5 |
| 6a (C) | 168.7 |
| 6b (CH3) | 20.4 |
| 8a (C) | 168.7 |
| 8b (CH3) | 20.5 |
| 14a (CH3) | 50.8 |
