Spektraris NMR
Pulicanadiene B
Common Name: Pulicanadiene B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O5/c1-12(2)19-17(23-14(4)21)9-13(3)7-6-8-16(11-20)10-18(19)24-15(5)22/h8-9,11-12,17-19H,6-7,10H2,1-5H3/b13-9+,16-8+/t17-,18-,19-/m1/s1
InChIKey: InChIKey=IVPDEPJTXZGQDQ-ISRQIGLJSA-N
Formula: C19H28O5
Molecular Weight: 336.423348
Exact Mass: 336.193674
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) | 150.4 |
| 2 (CH2) | 27.1 |
| 3 (CH2) | 36.8 |
| 4 (C) | 136.6 |
| 5 (CH) | 124.3 |
| 6 (CH) | 70 |
| 7 (CH) | 52.6 |
| 8 (CH) | 70.1 |
| 9 (CH2) | 30.2 |
| 10 (C) | 143.6 |
| 11 (CH) | 26.7 |
| 12 (CH3) | 22.6 |
| 13 (CH3) | 21.6 |
| 14 (CH) | 193.6 |
| 15 (CH3) | 17.9 |
| 6a (C) | 169 |
| 6b (CH3) | 20.6 |
| 8a (C) | 169 |
| 8b (CH3) | 20.5 |
