Spektraris NMR
Spiroleucettadine
Common Name: Spiroleucettadine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H23N3O4/c1-21-19-13-18(10-8-15(24)9-11-18)27-20(19,23(2)17(25)22-19)12-14-4-6-16(26-3)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,22,25)/t19-,20+/m0/s1
InChIKey: InChIKey=ZCTVQFBNZMKKCR-VQTJNVASSA-N
Formula: C20H23N3O4
Molecular Weight: 369.415204
Exact Mass: 369.168856
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - White, K.N., Amagata, T., Oliver, A.G., Tenney, K., Wenzel, P.J., Crews, P. J Org Chem (2008) 73, 8719-22
Species:
Notes: Family : Alkaloids, Type : Imidazolidine-oxazols; 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) | 159 |
| 4 (C) | 102.3 |
| 5 (C) | 82.9 |
| 6 (CH2) | 48.8 |
| 7 (C) | 77.2 |
| 8 (CH2) | 38 |
| 9 (C) | 127.2 |
| 10 (CH) | 132.9 |
| 11 (CH) | 113.7 |
| 12 (C) | 158.6 |
| 13 (CH) | 113.7 |
| 14 (CH) | 132.9 |
| 15 (CH) | 149.6 |
| 16 (CH) | 128.7 |
| 17 (C) | 185.2 |
| 18 (CH) | 127.5 |
| 19 (CH) | 149.1 |
| 1a (CH3) | 29.3 |
| 3a (CH3) | 26 |
| 12a (CH3) | 55.5 |
