Spektraris NMR
Xenotorin D
Common Name: Xenotorin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-8(2)12-10-7-9(3)5-6-11(10)15(4)14(17-15)13(12)16/h9-14,16H,1,5-7H2,2-4H3/t9-,10+,11+,12-,13-,14-,15+/m0/s1
InChIKey: InChIKey=AGVVMVNNMJUBCX-HIDDOJLPSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
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) | 47.2 |
| 2 (CH2) | 21.9 |
| 3 (CH2) | 32 |
| 4 (CH) | 27.6 |
| 5 (CH2) | 36.1 |
| 6 (CH) | 26.2 |
| 7 (CH) | 53.7 |
| 8 (CH) | 67 |
| 9 (CH) | 62.6 |
| 10 (C) | 62.5 |
| 11 (C) | 144.4 |
| 12 (CH2) | 114.2 |
| 13 (CH3) | 22.5 |
| 14 (CH3) | 18.1 |
| 15 (CH3) | 20.5 |
