Spektraris NMR
Pacificin A
Common Name: Pacificin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-14(2)7-6-9-18(3)11-12-20(5)17(22-20)8-10-19(4,21)16-13-15(16)18/h7,15-17,21H,6,8-13H2,1-5H3/t15-,16-,17-,18-,19-,20-/m0/s1
InChIKey: InChIKey=TVFOQOGYYBMWNB-RABCQHRBSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
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) | 25.7 |
| 2 (C) | 131.2 |
| 3 (CH) | 125 |
| 4 (CH2) | 22.2 |
| 5 (CH2) | 46.6 |
| 6 (C) | 34.7 |
| 7 (CH2) | 36.6 |
| 8 (CH2) | 35.4 |
| 9 (C) | 61.9 |
| 10 (CH) | 66.2 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 41.7 |
| 13 (C) | 72.9 |
| 14 (CH) | 28.8 |
| 15 (CH2) | 3.9 |
| 16 (CH) | 27.1 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 20.6 |
