Spektraris NMR
9-epi-9-Thiocyanatopupukeanane
Common Name: 9-epi-9-Thiocyanatopupukeanane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H25NS/c1-10(2)11-6-15(3)8-16(4)7-12(11)13(15)5-14(16)18-9-17/h10-14H,5-8H2,1-4H3/t11-,12?,13?,14+,15-,16-/m0/s1
InChIKey: InChIKey=DFUFZLNZZBSSFX-KJSUHCOQSA-N
Formula: C16H25N1S1
Molecular Weight: 263.443121
Exact Mass: 263.17077
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yasman, Y., Edrada, R.A., Wray, V., Proksch, P. J Nat Prod (2003) 66, 1512-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) | 33 |
| 2 (CH2) | 55 |
| 3 (C) | 38.9 |
| 4 (CH2) | 48.3 |
| 5 (CH) | 49.6 |
| 6 (CH) | 38.3 |
| 7 (CH) | 43.7 |
| 8 (CH2) | 28.9 |
| 9 (CH) | 56.2 |
| 10 (CH2) | 27.3 |
| 11 (CH3) | 26.8 |
| 12 (CH3) | 26.2 |
| 13 (CH) | 29.6 |
| 14 (CH3) | 21.6 |
| 15 (CH3) | 21.5 |
| 9a (C) | 113.5 |
