Spektraris NMR
MKKVQZKPCITHAF-BXPHKCKFSA-N
Common Name: MKKVQZKPCITHAF-BXPHKCKFSA-N
Synonyms: MKKVQZKPCITHAF-BXPHKCKFSA-N
CAS Registry Number:
InChI: InChI=1S/C25H44/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,12,15,17,21-22,25H,1,10-11,13-14,16,18-19H2,2-8H3/b23-17+,24-15+
InChIKey: InChIKey=MKKVQZKPCITHAF-BXPHKCKFSA-N
Formula: C25H44
Molecular Weight: 344.617791
Exact Mass: 344.344301
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Allard W.G., Belt S.T., Masse G., Naumann R., Robert J.M., Rowland S. Phytochemistry (2001) 56, 795-800
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (CH3) | 22.6 |
| 2 (CH) | 27.5 |
| 3 (CH2) | 39.1 |
| 4 (CH2) | 25.5 |
| 5 (CH) | 126.2 |
| 6 (C) | 136.3 |
| 7 (CH) | 49.4 |
| 8 (CH2) | 32.4 |
| 9 (CH) | 123.5 |
| 10 (C) | 134.8 |
| 11 (CH2) | 39.8 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 124.5 |
| 14 (C) | 131.1 |
| 15 (CH3) | 25.7 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 11.8 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 17.7 |
| 20 (CH2) | 30.4 |
| 21 (CH2) | 34.6 |
| 22 (CH) | 37.8 |
| 23 (CH) | 145.1 |
| 24 (CH2) | 112.4 |
| 25 (CH3) | 20.5 |
