Spektraris NMR
Eremopetasitenin B3
Common Name: Eremopetasitenin B3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O5/c1-9-6-5-7-14(18)8-15-16(21-15,10(2)11(17)20-15)12(19-4)13(9,14)3/h9-10,12,18H,5-8H2,1-4H3/t9-,10+,12-,13-,14-,15+,16-/m0/s1
InChIKey: InChIKey=RCRSNYJKAOYZJJ-WBIJKHACSA-N
Formula: C16H24O5
Molecular Weight: 296.359377
Exact Mass: 296.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tori, M., Shiotani, Y., Tanaka, M., Nakashima, K., Sono, M. Tetrahedron Lett (2000) 41, 1797-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) | 32.8 |
| 2 (CH2) | 21.6 |
| 3 (CH2) | 28.7 |
| 4 (CH) | 32.1 |
| 5 (C) | 45 |
| 6 (CH) | 79.1 |
| 7 (C) | 61.5 |
| 8 (C) | 86 |
| 9 (CH2) | 31.4 |
| 10 (C) | 72.8 |
| 11 (CH) | 42.7 |
| 12 (C) | 175.4 |
| 13 (CH3) | 10.8 |
| 14 (CH3) | 10.6 |
| 15 (CH3) | 16.2 |
| 6a (CH3) | 58.9 |
