Spektraris NMR
3,4,5,6-Tetradehydro-(Z)-geissoschizol
Common Name: 3,4,5,6-Tetradehydro-(Z)-geissoschizol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h2-7,9,14,22H,8,10-12H2,1H3/b13-2+/t14-/m0/s1
InChIKey: InChIKey=ICJZOHPEKMAUGQ-AGIOQNCLSA-N
Formula: C19H20N2O1
Molecular Weight: 292.375688
Exact Mass: 292.157563
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) | 135.8 |
| 3 (C) | 141.8 |
| 5 (CH) | 133.8 |
| 6 (CH) | 116.9 |
| 7 (C) | 133 |
| 8 (C) | 121.5 |
| 9 (CH) | 124.1 |
| 10 (CH) | 123.2 |
| 11 (CH) | 133 |
| 12 (CH) | 113.9 |
| 13 (C) | 145.4 |
| 14 (CH2) | 31.9 |
| 15 (CH) | 35.3 |
| 16 (CH2) | 37.4 |
| 17 (CH2) | 60 |
| 18 (CH3) | 13.2 |
| 19 (CH) | 124.8 |
| 20 (C) | 131.8 |
| 21 (CH2) | 55.1 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.