Spektraris NMR
Ileabethoxazole
Common Name: Ileabethoxazole
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H27NO2/c1-11-6-7-14-12(2)15(8-9-21(4,5)23)17-13(3)19-20(24-10-22-19)16(11)18(14)17/h8-12,14-15,23H,6-7H2,1-5H3/b9-8+/t11-,12+,14+,15-/m0/s1
InChIKey: InChIKey=JSKUEIQCYRLEIS-JIDGNWBMSA-N
Formula: C21H27N1O2
Molecular Weight: 325.445407
Exact Mass: 325.204179
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, I.I., Rodriguez, A.D., Wang, Y., Franzblau, S.G. Tetrahedron Lett (2006) 47, 3229-32
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Amphilectanes; 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) | 129.6 |
| 2 (CH) | 55.5 |
| 3 (CH) | 51.2 |
| 4 (CH) | 48 |
| 5 (CH2) | 28.3 |
| 6 (CH2) | 33.5 |
| 7 (CH) | 29.5 |
| 8 (C) | 119.5 |
| 9 (C) | 147.2 |
| 10 (C) | 139.2 |
| 11 (C) | 124.4 |
| 12 (C) | 138 |
| 13 (C) | 142.1 |
| 14 (CH) | 139.4 |
| 15 (C) | 70.8 |
| 16 (CH3) | 29.7 |
| 17 (CH3) | 29.8 |
| 18 (CH3) | 15.2 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 13.5 |
| 9a (CH) | 150.9 |
