Spektraris NMR
Axinythiocyanate A
Common Name: Axinythiocyanate A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H25NS/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,15H,5,8-11H2,1-4H3/t15-,16-/m0/s1
InChIKey: InChIKey=UDBGTQYSPVXTKN-HOTGVXAUSA-N
Formula: C16H25N1S1
Molecular Weight: 263.443121
Exact Mass: 263.17077
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zubia, E., Ortega, M.J., Carballo, J.L. J Nat Prod (2008) 71, 2004-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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 |
|---|---|
| 1 (CH2) | 27.2 |
| 2 (CH) | 119.7 |
| 3 (C) | 134.1 |
| 4 (CH2) | 30.9 |
| 5 (CH2) | 24.6 |
| 6 (CH) | 42.5 |
| 7 (C) | 63.7 |
| 8 (CH2) | 38.9 |
| 9 (CH2) | 23.1 |
| 10 (CH) | 122.7 |
| 11 (C) | 132.8 |
| 12 (CH3) | 17.7 |
| 13 (CH3) | 25.7 |
| 14 (CH3) | 23.8 |
| 15 (CH3) | 23.1 |
| 7a (C) | 112.2 |
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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.