Spektraris NMR
Pacificin I
Common Name: Pacificin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32/c1-15(2)8-7-12-20(5)13-11-16(3)9-6-10-17(4)18-14-19(18)20/h8-9,18-19H,4,6-7,10-14H2,1-3,5H3/b16-9+/t18-,19+,20+/m1/s1
InChIKey: InChIKey=SLLJXDWDIIKACA-BSHNENNUSA-N
Formula: C20H32
Molecular Weight: 272.468822
Exact Mass: 272.250401
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Dai, C.F., Chen, I.G., Duh, C.Y. J Nat Prod (2005) 68, 74-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylbiclyclogermacranes; 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 (CH3) | 25.8 |
| 2 (C) | 130.9 |
| 3 (CH) | 125.5 |
| 4 (CH2) | 22.4 |
| 5 (CH2) | 45.9 |
| 6 (C) | 35.9 |
| 7 (CH2) | 37.7 |
| 8 (CH2) | 36.4 |
| 9 (C) | 136.1 |
| 10 (CH) | 126.1 |
| 11 (CH2) | 30.4 |
| 12 (CH2) | 40.4 |
| 13 (C) | 154 |
| 14 (CH) | 24.9 |
| 15 (CH2) | 12.9 |
| 16 (CH) | 35.5 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 18.4 |
| 19 (CH3) | 15.8 |
| 20 (CH2) | 103.2 |
