Spektraris NMR
Pacificin E
Common Name: Pacificin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-13(2)16(24-22)6-8-18(3)10-11-20(5)17(23-20)7-9-19(4,21)15-12-14(15)18/h14-17,21-22H,1,6-12H2,2-5H3/t14-,15-,16?,17-,18-,19-,20-/m0/s1
InChIKey: InChIKey=PNSFHPGODPYTML-RTILDTPDSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
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 (CH2) | 114.7 |
| 2 (C) | 143 |
| 3 (CH) | 90.4 |
| 4 (CH2) | 24.7 |
| 5 (CH2) | 41.7 |
| 6 (C) | 34.3 |
| 7 (CH2) | 36.7 |
| 8 (CH2) | 35.4 |
| 9 (C) | 62.8 |
| 10 (CH) | 66.3 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 42.2 |
| 13 (C) | 72.9 |
| 14 (CH) | 28.9 |
| 15 (CH2) | 3.9 |
| 16 (CH) | 26.9 |
| 17 (CH3) | 17.1 |
| 18 (CH3) | 19.5 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 20.7 |
