Spektraris NMR
CHEMBL479670
Common Name: CHEMBL479670
Synonyms: CHEMBL479670
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-6-17(5,20)11-16(19)10-13(2)8-7-9-14(3)12-21-15(4)18/h6,9-10,16,19-20H,1,7-8,11-12H2,2-5H3/b13-10+,14-9+/t16-,17+/m0/s1
InChIKey: InChIKey=RWIWWVYFTIGTBC-LSBUTNNPSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, B., Lee, Y.H., Chai, H., Tucker, J.C., Fairchild, C.R., Raventos-Suarez, C., Long, B., Lane, K.E., Menendez, A.T., Beecher, C.W., Cordell, G.A., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (1999) 62, 1545-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 111.3 |
| 2 (CH) | 145.8 |
| 3 (C) | 73.2 |
| 4 (CH2) | 47.1 |
| 5 (CH) | 66.2 |
| 6 (CH) | 128.1 |
| 7 (C) | 137.2 |
| 8 (CH2) | 38.7 |
| 9 (CH2) | 25.7 |
| 10 (CH) | 128.8 |
| 11 (C) | 130.3 |
| 12 (CH2) | 70.2 |
| 13 (CH3) | 26.7 |
| 14 (CH3) | 16.4 |
| 15 (CH3) | 14 |
| 12a (C) | 171.4 |
| 12b (CH3) | 21 |
