Spektraris NMR
9-deoxyxeniloide-E
Common Name: 9-deoxyxeniloide-E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-6-5-7-14(2)18-16(10-8-13)15(12-22-19(18)21)9-11-17-20(3,4)23-17/h6,9,16-18H,2,5,7-8,10-12H2,1,3-4H3/b13-6+,15-9-/t16-,17?,18+/m1/s1
InChIKey: InChIKey=SLBDTTJOIFSXFG-DACSYXBRSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 148.1 |
| 2 (CH) | 57 |
| 3 (CH) | 38.2 |
| 4 (CH2) | 36.7 |
| 5 (CH2) | 39.7 |
| 6 (C) | 134.9 |
| 7 (CH) | 124.2 |
| 8 (CH2) | 29.7 |
| 9 (CH2) | 34.4 |
| 10 (C) | 138.6 |
| 11 (CH) | 125.9 |
| 12 (CH2) | 28.4 |
| 13 (CH) | 62.8 |
| 14 (C) | 58.6 |
| 15 (CH3) | 24.8 |
| 16 (CH3) | 18.9 |
| 17 (CH2) | 71.7 |
| 18 (C) | 173.3 |
| 19 (CH2) | 116.9 |
| 20 (CH3) | 17.8 |
