Spektraris NMR
Serpentine
Common Name: Serpentine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16+/m0/s1
InChIKey: InChIKey=WYTGDNHDOZPMIW-VBNZEHGJSA-N
Formula: C21H20N2O3
Molecular Weight: 348.39597
Exact Mass: 348.147393
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) | 141.2 |
| 5 (CH) | 134.2 |
| 6 (CH) | 116.8 |
| 7 (C) | 132.6 |
| 8 (C) | 121.3 |
| 9 (CH) | 124 |
| 10 (CH) | 123.2 |
| 11 (CH) | 132.9 |
| 12 (CH) | 113.9 |
| 13 (C) | 145.4 |
| 14 (CH2) | 31.9 |
| 15 (CH) | 26 |
| 16 (C) | 107.2 |
| 17 (CH) | 156.3 |
| 18 (CH3) | 14.2 |
| 19 (CH) | 72.9 |
| 20 (CH) | 38.5 |
| 21 (CH2) | 57.6 |
| 22 (C) | 168.4 |
| 22a (CH3) | 51.8 |
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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.