Spektraris NMR
Cyllenine A
Common Name: Cyllenine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14-,15+,17+,18+,19+,20-/m1/s1
InChIKey: InChIKey=IACFKHAQKGTVTR-VUKVDKESSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Karioti, A., Heilmann, J., Skaltsa, H. Phytochemistry (2005) 66, 1060-6
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) | 28.4 |
| 2 (CH2) | 17.3 |
| 3 (CH2) | 27.6 |
| 4 (C) | 43.6 |
| 5 (CH) | 45.8 |
| 6 (CH) | 75.7 |
| 7 (CH2) | 30.9 |
| 8 (CH) | 31.2 |
| 9 (C) | 91.3 |
| 10 (C) | 38.5 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 34.7 |
| 13 (C) | 89.5 |
| 14 (CH2) | 46 |
| 15 (CH) | 98.7 |
| 16 (CH2) | 76.1 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 22.6 |
| 19 (C) | 183.6 |
| 20 (CH3) | 23 |
