Spektraris NMR
Xenotorin E
Common Name: Xenotorin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9(2)14-12-7-10(3)5-6-15(12,17)11(4)8-13(14)16/h8,10,12,14,17H,1,5-7H2,2-4H3/t10-,12-,14-,15+/m0/s1
InChIKey: InChIKey=HOLIHXDZFDKQLT-HQRZJTNHSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Chien, S.C., Song, P.Y., Wang, S.K., El-Gamal, A.A., Dai, C.F. J Nat Prod (2002) 65, 1853-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 84 |
| 2 (CH2) | 29.1 |
| 3 (CH2) | 29.8 |
| 4 (CH) | 25.1 |
| 5 (CH2) | 31.7 |
| 6 (CH) | 36.7 |
| 7 (CH) | 57.1 |
| 8 (C) | 197.6 |
| 9 (CH) | 128.5 |
| 10 (C) | 164.9 |
| 11 (C) | 140.7 |
| 12 (CH2) | 117.1 |
| 13 (CH3) | 18.3 |
| 14 (CH3) | 22.1 |
| 15 (CH3) | 18 |
