Spektraris NMR
Trans-deacetoxyarioaustrasine
Common Name: Trans-deacetoxyarioaustrasine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H23NO3/c1-19(2)12-9-10-20(3)17(24-20)14(12)15-16(23-19)11-7-5-6-8-13(11)21(4)18(15)22/h5-8,12,14,17H,9-10H2,1-4H3/t12-,14-,17+,20-/m0/s1
InChIKey: InChIKey=GOAAZKVSWQLRQQ-AJRGADBESA-N
Formula: C20H23N1O3
Molecular Weight: 325.402313
Exact Mass: 325.167794
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) | 162.4 |
| 3 (C) | 106.2 |
| 4 (C) | 156.5 |
| 5 (CH) | 123.4 |
| 6 (CH) | 121.6 |
| 7 (CH) | 130.7 |
| 8 (CH) | 113.9 |
| 9 (C) | 139.4 |
| 10 (C) | 116.8 |
| 1' (C) | 57.8 |
| 2' (CH) | 62.6 |
| 3' (CH) | 36.4 |
| 4' (CH) | 44.7 |
| 5' (CH2) | 22.5 |
| 6' (CH2) | 31.3 |
| 7' (CH3) | 23.7 |
| 8' (C) | 80.5 |
| 1'' (CH3) | 29.4 |
| 8'a (CH3) | 27.5 |
| 8'b (CH3) | 19.7 |
