Spektraris NMR
(E)-deoxypukalide
Common Name: (E)-deoxypukalide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O5/c1-12(2)14-5-6-15-9-16(26-20(15)22)7-13(3)8-17-11-18(21(23)24-4)19(10-14)25-17/h8-9,11,14,16H,1,5-7,10H2,2-4H3/b13-8+/t14-,16+/m1/s1
InChIKey: InChIKey=MBPPADJEJHCJGU-ZURRRSKRSA-N
Formula: C21H24O5
Molecular Weight: 356.413057
Exact Mass: 356.162374
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Dorta, E., Diaz-Marrero, A.R., Brito, I., Cueto, M., Croz, L.D., Darias, J. Tetrahedron (2007) 63, 9057-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 42.7 |
| 2 (CH2) | 32.6 |
| 3 (C) | 160.3 |
| 4 (C) | 114.9 |
| 5 (CH) | 108.3 |
| 6 (C) | 148.6 |
| 7 (CH) | 118.4 |
| 8 (C) | 140.9 |
| 9 (CH2) | 41.3 |
| 10 (CH) | 79.9 |
| 11 (CH) | 149.2 |
| 12 (C) | 136.1 |
| 13 (CH2) | 21.7 |
| 14 (CH2) | 32.5 |
| 15 (C) | 145.9 |
| 16 (CH2) | 112.6 |
| 17 (CH3) | 19.2 |
| 18 (C) | 164.1 |
| 19 (CH3) | 22.5 |
| 20 (C) | 174.2 |
| 18a (CH3) | 51 |
