Spektraris NMR
Cyllenine C
Common Name: Cyllenine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-10-9-11-13-15(2,14(19)20-11)6-4-7-16(13,3)17(10)8-5-12(18)21-17/h10-11,13H,4-9H2,1-3H3/t10-,11-,13+,15+,16+,17-/m1/s1
InChIKey: InChIKey=DFQREMVEHMYQMW-MZIBEIOLSA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Karioti, A., Skopeliti, M., Tsitsilonis, O., Heilmann, J., Skaitsa, H. Phytochemistry (2007) 68, 1587-94
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 27.8 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 28.3 |
| 4 (C) | 44 |
| 5 (CH) | 45.3 |
| 6 (CH) | 75.6 |
| 7 (CH2) | 31.2 |
| 8 (CH) | 32.3 |
| 9 (C) | 91.2 |
| 10 (C) | 38.6 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 29.3 |
| 13 (C) | 177 |
| 17 (CH3) | 15.4 |
| 18 (CH3) | 22.4 |
| 19 (C) | 183.3 |
| 20 (CH3) | 22.1 |
