Spektraris NMR
Pacificin H
Common Name: Pacificin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-14(2)20(27-25)8-10-21(5)9-7-15(3)11-17(26-16(4)23)13-22(6,24)19-12-18(19)21/h11,17-20,24-25H,1,7-10,12-13H2,2-6H3/b15-11+/t17-,18-,19-,20?,21+,22-/m0/s1
InChIKey: InChIKey=FAXDRDJWQDFFGZ-XVDZUCNCSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
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) | 114.9 |
| 2 (C) | 143.5 |
| 3 (CH) | 90.6 |
| 4 (CH2) | 24.7 |
| 5 (CH2) | 40.5 |
| 6 (C) | 35.1 |
| 7 (CH2) | 36.9 |
| 8 (CH2) | 35.1 |
| 9 (C) | 140.4 |
| 10 (CH) | 125.7 |
| 11 (CH) | 69 |
| 12 (CH2) | 49 |
| 13 (C) | 71.6 |
| 14 (CH) | 30.3 |
| 15 (CH2) | 4.5 |
| 16 (CH) | 27.1 |
| 17 (CH3) | 17 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 17 |
| 20 (CH3) | 21.3 |
| 11a (C) | 170.4 |
| 11b (CH3) | 21.4 |
