Spektraris NMR
Trans-deacetoxyaustralasine hydrate
Common Name: Trans-deacetoxyaustralasine hydrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H25NO4/c1-19(2)12-9-10-20(3,24)17(22)14(12)15-16(25-19)11-7-5-6-8-13(11)21(4)18(15)23/h5-8,12,14,17,22,24H,9-10H2,1-4H3/t12-,14-,17+,20-/m0/s1
InChIKey: InChIKey=ZEHIXFMWFRDDON-AJRGADBESA-N
Formula: C20H25N1O4
Molecular Weight: 343.4176
Exact Mass: 343.178358
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) | 162.9 |
| 3 (C) | 106.3 |
| 4 (C) | 157.4 |
| 5 (CH) | 123.4 |
| 6 (CH) | 121.7 |
| 7 (CH) | 130.6 |
| 8 (CH) | 114 |
| 9 (C) | 139.1 |
| 10 (C) | 116.9 |
| 1' (C) | 72.5 |
| 2' (CH) | 65.4 |
| 3' (CH) | 36.1 |
| 4' (CH) | 40.1 |
| 5' (CH2) | 22.9 |
| 6' (CH2) | 33 |
| 7' (CH3) | 29.5 |
| 8' (C) | 79.8 |
| 1'' (CH3) | 29.3 |
| 8'a (CH3) | 27.6 |
| 8'b (CH3) | 19.8 |
