Spektraris NMR
Axiplyns E
Common Name: Axiplyns E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H25NO3S/c1-9(2)10-5-6-14(3,17-8-21)12-7-11-13(18)16(10,12)20-15(11,4)19/h9-13,18-19H,5-7H2,1-4H3/t10-,11+,12-,13?,14-,15+,16-/m0/s1
InChIKey: InChIKey=APGMRVREUPWQPH-YCLKLDDRSA-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) | 48.8 |
| 2 (CH2) | 25.5 |
| 3 (CH) | 42.6 |
| 4 (C) | 104 |
| 5 (CH) | 72.4 |
| 6 (C) | 86.9 |
| 7 (CH) | 48 |
| 8 (CH2) | 19 |
| 9 (CH2) | 39.3 |
| 10 (C) | 66.6 |
| 11 (CH) | 24.8 |
| 12 (CH3) | 19.3 |
| 13 (CH3) | 24.2 |
| 14 (CH3) | 24.7 |
| 15 (CH3) | 29.3 |
| 10a (C) | 132 |
