Spektraris NMR
(3E,7E,11E)-Cembra-3,7,11,15-tetraen-16,14-olide
Common Name: (3E,7E,11E)-Cembra-3,7,11,15-tetraen-16,14-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h7,10-11,18-19H,4-6,8-9,12-13H2,1-3H3/b14-7+,15-11+,16-10+/t18-,19+/m1/s1
InChIKey: InChIKey=XDYGLOIAEQJWFP-AQHKOHGASA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, S.H., Guo, Y.W., Huang, H., Cimino, G. Helv Chim Acta (2008) 91, 873-80
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) | 44.8 |
| 2 (CH2) | 33.7 |
| 3 (CH) | 120.4 |
| 4 (C) | 137.1 |
| 5 (CH2) | 38.6 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 124.1 |
| 8 (C) | 133.4 |
| 9 (CH2) | 38.1 |
| 10 (CH2) | 24.4 |
| 11 (CH) | 128.1 |
| 12 (C) | 129.5 |
| 13 (CH2) | 44.9 |
| 14 (CH) | 81.8 |
| 15 (C) | 139.6 |
| 16 (C) | 170.4 |
| 17 (CH2) | 122.3 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 17.4 |
