Spektraris NMR
Pacificin C
Common Name: Pacificin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-17(2,24-22)8-6-9-18(3)11-12-20(5)16(23-20)7-10-19(4,21)15-13-14(15)18/h6,8,14-16,21-22H,7,9-13H2,1-5H3/b8-6+/t14-,15-,16-,18-,19-,20-/m0/s1
InChIKey: InChIKey=QVXHUQXNTXETOI-IMMUYQCLSA-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 (CH3) | 24.5 |
| 2 (C) | 82.2 |
| 3 (CH) | 136.7 |
| 4 (CH) | 127.4 |
| 5 (CH2) | 49.1 |
| 6 (C) | 35.7 |
| 7 (CH2) | 37.1 |
| 8 (CH2) | 35.4 |
| 9 (C) | 61.9 |
| 10 (CH) | 66.3 |
| 11 (CH2) | 24.3 |
| 12 (CH2) | 41.7 |
| 13 (C) | 73 |
| 14 (CH) | 28.9 |
| 15 (CH2) | 4.3 |
| 16 (CH) | 27.8 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 19.5 |
| 19 (CH3) | 17 |
| 20 (CH3) | 20.6 |
