Spektraris NMR
3,4,5,6-Tetradehydroyohimbine
Common Name: 3,4,5,6-Tetradehydroyohimbine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,8-9,12,15,18-19,24H,6-7,10-11H2,1H3/t12-,15-,18-,19+/m0/s1
InChIKey: InChIKey=UWMTZXSCMQAECK-RMBDZISWSA-N
Formula: C21H22N2O3
Molecular Weight: 350.411851
Exact Mass: 350.163043
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wachsmuth O., Matusch R. Phytochemistry (2002) 61, 705-9
Species:
Notes: Family : Alkaloids, Type : Ajmalicines; 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) | 135.5 |
| 3 (C) | 141.6 |
| 5 (CH) | 133.8 |
| 6 (CH) | 116.6 |
| 7 (C) | 132.4 |
| 8 (C) | 121.4 |
| 9 (CH) | 123.9 |
| 10 (CH) | 123.1 |
| 11 (CH) | 132.7 |
| 12 (CH) | 113.8 |
| 13 (C) | 145.2 |
| 14 (CH2) | 31.6 |
| 15 (CH) | 31.2 |
| 16 (CH) | 53.5 |
| 17 (CH) | 68.2 |
| 18 (CH2) | 32.6 |
| 19 (CH2) | 23 |
| 20 (CH) | 36.8 |
| 21 (CH2) | 61 |
| 22 (C) | 174.3 |
| 22a (CH3) | 52.4 |
