Spektraris NMR
Orientalol E 6-acetate
Common Name: Orientalol E 6-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-10(2)17-9-8-16(5,21-17)12-6-7-15(4,19)13(12)14(17)20-11(3)18/h10,12-14,19H,6-9H2,1-5H3/t12-,13+,14+,15+,16+,17+/m1/s1
InChIKey: InChIKey=KEVRUILNLFTNJL-NQCBRMCBSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Peng, G.P., Tian, G., Huang, X.F., Lou, F.C. Phytochemistry (2003) 63, 877-81
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 50.5 |
| 2 (CH2) | 22.8 |
| 3 (CH2) | 40.1 |
| 4 (C) | 78.8 |
| 5 (CH) | 52.8 |
| 6 (CH) | 72.1 |
| 7 (C) | 85.7 |
| 8 (CH2) | 30.3 |
| 9 (CH2) | 31.4 |
| 10 (C) | 83 |
| 11 (CH) | 32.9 |
| 12 (CH3) | 17.4 |
| 13 (CH3) | 18.2 |
| 14 (CH3) | 23.6 |
| 15 (CH3) | 24.7 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.5 |
