Spektraris NMR
Pacificin J
Common Name: Pacificin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-15-8-6-9-16(2)17-14-18(17)20(5,13-10-15)12-7-11-19(3,4)21/h7-8,11,17-18,21H,2,6,9-10,12-14H2,1,3-5H3/b11-7+,15-8+/t17-,18+,20+/m1/s1
InChIKey: InChIKey=SPKCOCUHKUVJLN-JHKFPMARSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
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) | 30 |
| 2 (C) | 70.9 |
| 3 (CH) | 140.6 |
| 4 (CH) | 123.6 |
| 5 (CH2) | 48.2 |
| 6 (C) | 36.8 |
| 7 (CH2) | 38.1 |
| 8 (CH2) | 36.4 |
| 9 (C) | 136 |
| 10 (CH) | 126.1 |
| 11 (CH2) | 30.3 |
| 12 (CH2) | 40.5 |
| 13 (C) | 153.8 |
| 14 (CH) | 25 |
| 15 (CH2) | 13.1 |
| 16 (CH) | 35.9 |
| 17 (CH3) | 30 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 15.8 |
| 20 (CH2) | 103.3 |
