Spektraris NMR
Pseudopteroxazole
Common Name: Pseudopteroxazole
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H27NO/c1-11(2)8-15-9-13(4)16-7-6-12(3)17-19(16)18(15)14(5)20-21(17)23-10-22-20/h8,10,12-13,15-16H,6-7,9H2,1-5H3/t12-,13+,15+,16-/m1/s1
InChIKey: InChIKey=HTRVXIUUWGLCAT-BFJAYTPKSA-N
Formula: C21H27N1O1
Molecular Weight: 309.446002
Exact Mass: 309.209264
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Rodriguez, I.I., Gonzalez, E. Org Lett (1999) 1, 527-30
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) | 36.4 |
| 2 (CH2) | 40 |
| 3 (CH) | 34.5 |
| 4 (CH) | 44.7 |
| 5 (CH2) | 28 |
| 6 (CH2) | 32.2 |
| 7 (CH) | 30.2 |
| 8 (C) | 122.4 |
| 9 (C) | 147.1 |
| 10 (C) | 137.9 |
| 11 (C) | 126.6 |
| 12 (C) | 134.7 |
| 13 (C) | 136.7 |
| 14 (CH) | 130.7 |
| 15 (C) | 128.8 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 13.5 |
| 21 (CH) | 151 |
