Spektraris NMR
seco-Pseudopteroxazole
Common Name: seco-Pseudopteroxazole
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H29NO/c1-13(2)7-6-8-14(3)17-10-9-15(4)19-18(17)11-16(5)20-21(19)23-12-22-20/h7,11-12,14-15,17H,6,8-10H2,1-5H3/t14-,15+,17+/m0/s1
InChIKey: InChIKey=HXPRVILAXUEVFC-ZMSDIMECSA-N
Formula: C21H29N1O1
Molecular Weight: 311.461884
Exact Mass: 311.224915
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 : Serrulatanes; 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) | 28.8 |
| 2 (CH2) | 29.5 |
| 3 (CH2) | 20.2 |
| 4 (CH) | 40.7 |
| 5 (CH) | 125.1 |
| 6 (C) | 126.9 |
| 7 (C) | 136.8 |
| 8 (C) | 148.6 |
| 9 (C) | 124.4 |
| 10 (C) | 137.5 |
| 11 (CH) | 37.5 |
| 12 (CH2) | 35.4 |
| 13 (CH2) | 26.2 |
| 14 (CH) | 124.6 |
| 15 (C) | 131.3 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 16.2 |
| 20 (CH3) | 21.3 |
| 21 (CH) | 151 |
