Spektraris NMR
Xeniaphyllantriol
Common Name: Xeniaphyllantriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-13-7-9-17(21)14(2)6-8-16-15(13)12-20(16,5)11-10-18(22)19(3,4)23/h15-18,21-23H,1-2,6-12H2,3-5H3/t15-,16+,17+,18?,20+/m0/s1
InChIKey: InChIKey=UYPCNUXCLOSNDG-XGEXFHOPSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
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) | 53.4 |
| 2 (CH2) | 31.1 |
| 3 (CH2) | 32.6 |
| 4 (C) | 151.2 |
| 5 (CH) | 75.4 |
| 6 (CH2) | 32.5 |
| 7 (CH2) | 32.6 |
| 8 (C) | 152.3 |
| 9 (CH) | 43.5 |
| 10 (CH2) | 35.7 |
| 11 (C) | 36.3 |
| 12 (CH2) | 41.3 |
| 13 (CH2) | 26 |
| 14 (CH) | 79.3 |
| 15 (C) | 73.3 |
| 16 (CH3) | 26.6 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 19.4 |
| 19 (CH2) | 109.4 |
| 20 (CH2) | 113.9 |
