Spektraris NMR
Arabsin
Common Name: Arabsin
Synonyms: Arabsin
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-9,11-13,17H,4-6H2,1-3H3/t7-,8-,9+,11-,12-,13+,15+/m1/s1
InChIKey: InChIKey=YRFWEPYMRLGVBZ-ANGHFORKSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 75.8 |
| 2 (CH2) | 46.8 |
| 3 (C) | 208.3 |
| 4 (CH) | 44.5 |
| 5 (CH) | 49.2 |
| 6 (CH) | 81.8 |
| 7 (CH) | 50.7 |
| 8 (CH2) | 20.1 |
| 9 (CH2) | 36.8 |
| 10 (C) | 42.1 |
| 11 (CH) | 38.1 |
| 12 (C) | 179.3 |
| 13 (CH3) | 9.1 |
| 14 (CH3) | 11.4 |
| 15 (CH3) | 13.3 |
