Spektraris NMR
Trans-erioaustrasine
Common Name: Trans-erioaustrasine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H25NO5/c1-12(24)26-11-23-15-8-6-5-7-13(15)18-17(20(23)25)16-14(21(2,3)27-18)9-10-22(4)19(16)28-22/h5-8,14,16,19H,9-11H2,1-4H3/t14-,16-,19+,22-/m0/s1
InChIKey: InChIKey=HUTWRNCECFUQMQ-CRRBVOBQSA-N
Formula: C22H25N1O5
Molecular Weight: 383.438476
Exact Mass: 383.173273
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sultana, N., Waterman, P.G. Phytochemistry (2001) 58, 329-32
Species:
Notes: Family : Alkaloids, Type : Quinolines; 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) | 162.2 |
| 3 (C) | 105.6 |
| 4 (C) | 157.8 |
| 5 (CH) | 123.7 |
| 6 (CH) | 122.6 |
| 7 (CH) | 131.2 |
| 8 (CH) | 113.8 |
| 9 (C) | 138.1 |
| 10 (C) | 117 |
| 1' (C) | 57.8 |
| 2' (CH) | 62.2 |
| 3' (CH) | 36.1 |
| 4' (CH) | 44.5 |
| 5' (CH2) | 22.4 |
| 6' (CH2) | 31.2 |
| 7' (CH3) | 23.7 |
| 8' (C) | 81.1 |
| 1'' (CH2) | 66.2 |
| 2'' (C) | 170.7 |
| 3'' (CH3) | 21.1 |
| 8'a (CH3) | 27.4 |
| 8'b (CH3) | 19.9 |
