Spektraris NMR
Xeniaphyllene-dioxide
Common Name: Xeniaphyllene-dioxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13-6-7-17-20(5,22-17)11-8-15-14(13)12-19(15,4)10-9-16-18(2,3)21-16/h14-17H,1,6-12H2,2-5H3/t14-,15+,16?,17-,19+,20+/m0/s1
InChIKey: InChIKey=FWXVIRPYGIZLJY-QJLBAZFMSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Groweiss, A., Kashman, Y. Tetrahedron (1983) 39, 3385
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xeniaphyllanes; 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) | 49.7 |
| 2 (CH2) | 27.8 |
| 3 (CH2) | 39 |
| 4 (C) | 59.7 |
| 5 (CH) | 63.8 |
| 6 (CH2) | 30.2 |
| 7 (CH2) | 29.7 |
| 8 (C) | 151.7 |
| 9 (CH) | 48.6 |
| 10 (CH2) | 38.5 |
| 11 (C) | 36.8 |
| 12 (CH2) | 40.3 |
| 13 (CH2) | 23.7 |
| 14 (CH) | 64.6 |
| 15 (C) | 58.4 |
| 16 (CH3) | 24.9 |
| 17 (CH3) | 18.6 |
| 18 (CH3) | 18.9 |
| 19 (CH2) | 113.1 |
| 20 (CH3) | 17 |
