Spektraris NMR
Neolitacumone
Common Name: Neolitacumone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H13NO3/c19-13-3-1-11(2-4-13)7-15-14-9-17-16(20-10-21-17)8-12(14)5-6-18-15/h1-6,8-9,19H,7,10H2
InChIKey: InChIKey=KRHLIEJPAKUMIW-UHFFFAOYSA-N
Formula: C17H13N1O3
Molecular Weight: 279.290698
Exact Mass: 279.089543
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chang, F.R., Hsieh, T.J., Huang, T.L., Chen, C.Y., Kuo, R.Y., Chang, Y.C., Chiu, H.F., Wu, Y.C. J Nat Prod (2002) 65, 255-8
Species:
Notes: Family : Alkaloids, Type : Isoquinolines; 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 (C) | 159.3 |
| 3 (CH) | 141.8 |
| 4 (CH) | 119.5 |
| 4a (C) | 134.9 |
| 5 (CH) | 102.3 |
| 6 (C) | 151 |
| 7 (C) | 149 |
| 8 (CH) | 102.2 |
| 8a (C) | 124 |
| 1' (CH2) | 41.7 |
| 2' (C) | 130.7 |
| 3' (CH) | 130.2 |
| 4' (CH) | 116.3 |
| 5' (C) | 157.4 |
| 6' (CH) | 116.3 |
| 7' (CH) | 130.2 |
| 1'' (CH2) | 103.3 |
