Spektraris NMR
Axiplyns D
Common Name: Axiplyns D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H25NO3S/c1-9(2)12-5-6-15(4,17-8-21)13-7-11(10(3)18)14(19)16(12,13)20/h9,11-14,19-20H,5-7H2,1-4H3/t11-,12-,13-,14+,15-,16-/m0/s1
InChIKey: InChIKey=CZXKCKSITMMTPE-CMXYNOPPSA-N
Formula: C16H25N1O3S1
Molecular Weight: 311.441336
Exact Mass: 311.155514
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sorek, H., Zelikoff, A.L., Benayahu, Y., Kashman, Y. Tetrahedron Lett (2008) 49, 2200-3
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 (CH) | 55.9 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 51.7 |
| 4 (C) | 214 |
| 5 (CH) | 72.5 |
| 6 (C) | 81.8 |
| 7 (CH) | 49.5 |
| 8 (CH2) | 18.8 |
| 9 (CH2) | 39.6 |
| 10 (C) | 64.7 |
| 11 (CH) | 24.8 |
| 12 (CH3) | 18 |
| 13 (CH3) | 24.2 |
| 14 (CH3) | 32.3 |
| 15 (CH3) | 29.6 |
| 10a (C) | 131.9 |
