Spektraris NMR
Clathrotropine
Common Name: Clathrotropine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24N2O3/c1-10(20)15-6-13(21)7-16-12-5-11(8-18(15)16)14-3-2-4-17(22)19(14)9-12/h2-4,10-13,15-16,20-21H,5-9H2,1H3/t10?,11-,12-,13-,15-,16+/m0/s1
InChIKey: InChIKey=ZVYNJRZSHUMWHS-GTYBJCQASA-N
Formula: C17H24N2O3
Molecular Weight: 304.384789
Exact Mass: 304.178693
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sagen A.L., Gertsch J., Becker R., Heilmann J., Sticher O. Phytochemistry (2002) 61, 975-8
Species:
Notes: Family : Alkaloids, Type : Quinolizidines; 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 |
|---|---|
| 2 (C) | 165.3 |
| 3 (CH) | 116.5 |
| 4 (CH) | 141.3 |
| 5 (CH) | 107.6 |
| 6 (C) | 153.6 |
| 7 (CH) | 36.5 |
| 8 (CH2) | 22 |
| 9 (CH) | 33.4 |
| 10 (CH2) | 53.2 |
| 11 (CH) | 64 |
| 12 (CH2) | 31.8 |
| 13 (CH) | 70.7 |
| 14 (CH2) | 30.4 |
| 15 (CH) | 67.6 |
| 17 (CH2) | 47.4 |
| 15a (CH) | 67.5 |
| 15b (CH3) | 20 |
