Spektraris NMR
Xenotorin A
Common Name: Xenotorin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-16H,1,5-7H2,2-4H3/t10-,12-,13+,14+,15-/m0/s1
InChIKey: InChIKey=VSKFQHOVPUQNSE-MQFWEAQZSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
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 (CH) | 47.1 |
| 2 (CH2) | 24.4 |
| 3 (CH2) | 32.4 |
| 4 (CH) | 27.8 |
| 5 (CH2) | 35.6 |
| 6 (CH) | 30.2 |
| 7 (CH) | 53 |
| 8 (CH) | 64.5 |
| 9 (CH) | 122.7 |
| 10 (C) | 141.8 |
| 11 (C) | 144.8 |
| 12 (CH2) | 113.4 |
| 13 (CH3) | 24.1 |
| 14 (CH3) | 18.3 |
| 15 (CH3) | 20.9 |
