Spektraris NMR
Pacificin F
Common Name: Pacificin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-15-8-6-12-20(5,22)17-14-16(17)19(4,13-9-15)11-7-10-18(2,3)21/h7-8,10,16-17,21-22H,6,9,11-14H2,1-5H3/b10-7+,15-8+/t16-,17-,19-,20-/m0/s1
InChIKey: InChIKey=IHSCKGWZAXSIOS-DULQZTKTSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CD3COCD3
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) | 29.8 |
| 2 (C) | 69.4 |
| 3 (CH) | 141.7 |
| 4 (CH) | 122.3 |
| 5 (CH2) | 48.6 |
| 6 (C) | 36 |
| 7 (CH2) | 37.2 |
| 8 (CH2) | 36 |
| 9 (C) | 132.2 |
| 10 (CH) | 127.2 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 44.4 |
| 13 (C) | 72 |
| 14 (CH) | 30.5 |
| 15 (CH2) | 5.8 |
| 16 (CH) | 27.5 |
| 17 (CH3) | 29.8 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 17.9 |
| 20 (CH3) | 19.9 |
