Spektraris NMR
CHEMBL452244
Common Name: CHEMBL452244
Synonyms: CHEMBL452244
CAS Registry Number:
InChI: InChI=1S/C16H26O4/c1-11(13(17)20-4)12-6-9-14(2)7-5-8-15(3,18)16(14,19)10-12/h12,18-19H,1,5-10H2,2-4H3/t12-,14-,15+,16+/m1/s1
InChIKey: InChIKey=GPOKPUXLJPSKPE-OJLVUWQFSA-N
Formula: C16H26O4
Molecular Weight: 282.375854
Exact Mass: 282.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zheng, Q.X., Xu, Z.J., Sun, X.F., Gueritte, F., Cesario, M., Sun, H.D., Cheng, C.H., Hao, X.J., Zhao, Y. J Nat Prod (2003) 66, 1078-81
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 38.7 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 36.9 |
| 4 (C) | 75.8 |
| 5 (C) | 77.1 |
| 6 (CH2) | 35.6 |
| 7 (CH) | 36 |
| 8 (CH2) | 28 |
| 9 (CH2) | 31.9 |
| 10 (C) | 37.9 |
| 11 (C) | 147.5 |
| 12 (CH2) | 123.6 |
| 13 (C) | 169.5 |
| 14 (CH3) | 25.8 |
| 15 (CH3) | 22.8 |
| 13a (CH3) | 52.3 |
