Spektraris NMR
Xenotorin B
Common Name: Xenotorin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h8,10,12-13,15H,1,5-7H2,2-4H3/t10-,12-,13+,15-/m0/s1
InChIKey: InChIKey=SIZHTHJIDBXZNM-DNVSUFBTSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
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) | 45.7 |
| 2 (CH2) | 23.6 |
| 3 (CH2) | 31.8 |
| 4 (CH) | 26.8 |
| 5 (CH2) | 36.7 |
| 6 (CH) | 36.6 |
| 7 (CH) | 62.3 |
| 8 (C) | 198.8 |
| 9 (CH) | 127.3 |
| 10 (C) | 164 |
| 11 (C) | 141.3 |
| 12 (CH2) | 116.7 |
| 13 (CH3) | 18.5 |
| 14 (CH3) | 17.8 |
| 15 (CH3) | 21.5 |
