Spektraris NMR
XeniaphyllenolC
Common Name: XeniaphyllenolC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13(2)10-16(21)11-20(5)12-17-14(3)7-9-19(22)15(4)6-8-18(17)20/h10,16-19,21-22H,3-4,6-9,11-12H2,1-2,5H3/t16?,17-,18+,19+,20+/m0/s1
InChIKey: InChIKey=BQMIRYIEZBTKMJ-UPGIWJNRSA-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) | 53.7 |
| 2 (CH2) | 30.8 |
| 3 (CH2) | 32.9 |
| 4 (C) | 151.4 |
| 5 (CH) | 75.5 |
| 6 (CH2) | 32.6 |
| 7 (CH2) | 32.8 |
| 8 (C) | 152.5 |
| 9 (CH) | 44.2 |
| 10 (CH2) | 36.7 |
| 11 (C) | 35.5 |
| 12 (CH2) | 51.3 |
| 13 (CH) | 66.1 |
| 14 (CH) | 129.3 |
| 15 (C) | 134.3 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 18.1 |
| 18 (CH3) | 19.9 |
| 19 (CH2) | 109.3 |
| 20 (CH2) | 113.9 |
