Spektraris NMR
9-deoxy-7,8-epoxyxeniloide-E
Common Name: 9-deoxy-7,8-epoxyxeniloide-E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-5-7-16-20(4,24-16)10-9-14-13(11-22-18(21)17(12)14)6-8-15-19(2,3)23-15/h6,14-17H,1,5,7-11H2,2-4H3/b13-6-/t14-,15?,16+,17+,20+/m1/s1
InChIKey: InChIKey=HBFMHROJNZWLBE-SCWJKOTBSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Chiang, C.Y., Chu, C.J., Wang, S.K., Dai, C.F. J Nat Prod (2002) 65, 1882-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 143.8 |
| 2 (CH) | 57.4 |
| 3 (CH) | 36.3 |
| 4 (CH2) | 35.4 |
| 5 (CH2) | 38.8 |
| 6 (C) | 58.6 |
| 7 (CH) | 64.1 |
| 8 (CH2) | 27.2 |
| 9 (CH2) | 28.7 |
| 10 (C) | 138.8 |
| 11 (CH) | 126 |
| 12 (CH2) | 28.9 |
| 13 (CH) | 62.6 |
| 14 (C) | 59.4 |
| 15 (CH3) | 24.7 |
| 16 (CH3) | 18.9 |
| 17 (CH2) | 71.4 |
| 18 (C) | 172.6 |
| 19 (CH2) | 119.8 |
| 20 (CH3) | 18.5 |
