Spektraris NMR
Jaeschkeanadiol β-epoxide
Common Name: Jaeschkeanadiol β-epoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O3/c1-9(2)15(17)6-5-13(3)8-11-14(4,18-11)7-10(16)12(13)15/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1
InChIKey: InChIKey=ZCDLQSJEDFNXTD-RUDNTAQLSA-N
Formula: C15H26O3
Molecular Weight: 254.365713
Exact Mass: 254.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 44.2 |
| 2 (CH2) | 43.9 |
| 3 (CH2) | 32.9 |
| 4 (C) | 87.6 |
| 5 (CH) | 63.2 |
| 6 (CH) | 67.4 |
| 7 (CH2) | 41.9 |
| 8 (C) | 58 |
| 9 (CH) | 57.9 |
| 10 (CH2) | 40.2 |
| 11 (CH) | 37.5 |
| 12 (CH3) | 18.1 |
| 13 (CH3) | 16.9 |
| 14 (CH3) | 26.1 |
| 15 (CH3) | 21.2 |
