Spektraris NMR
Pulicanol
Common Name: Pulicanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-12(2)18-17(26-14(4)23)10-16(11-25-13(3)22)8-7-9-21(6)20(28-21)19(18)27-15(5)24/h8,12,17-20H,7,9-11H2,1-6H3/b16-8+/t17-,18+,19-,20-,21-/m1/s1
InChIKey: InChIKey=USLIXTLJRXGPBH-FYKMGVGVSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
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) | 135 |
| 2 (CH2) | 24.4 |
| 3 (CH2) | 38.4 |
| 4 (C) | 58.8 |
| 5 (CH) | 66.5 |
| 6 (CH) | 73.5 |
| 7 (CH) | 47.5 |
| 8 (CH) | 72.1 |
| 9 (CH2) | 29.6 |
| 10 (C) | 129.3 |
| 11 (CH) | 26.2 |
| 12 (CH3) | 22.9 |
| 13 (CH3) | 21.2 |
| 14 (CH2) | 63.5 |
| 15 (CH3) | 16.3 |
| 6a (C) | 169.8 |
| 6b (CH3) | 20.8 |
| 8a (C) | 169.8 |
| 8b (CH3) | 21 |
| 14a (C) | 170.8 |
| 14b (CH3) | 21.1 |
