Spektraris NMR
Homopseudopteroxazole
Common Name: Homopseudopteroxazole
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H37NO/c1-7-8-9-10-21-27-25-18(6)23-19(13-15(2)3)14-17(5)20-12-11-16(4)22(24(20)23)26(25)28-21/h13,16-17,19-20H,7-12,14H2,1-6H3/t16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=OZVSXKKOLMOAHF-RAUXBKROSA-N
Formula: C26H37N1O1
Molecular Weight: 379.579089
Exact Mass: 379.287515
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, II, Rodriguez, A.D. J Nat Prod (2003) 66, 855-7
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) | 40.1 |
| 3 (CH) | 34.6 |
| 4 (CH) | 44.7 |
| 5 (CH2) | 28.1 |
| 6 (CH2) | 32.3 |
| 7 (CH) | 30.3 |
| 8 (C) | 121.7 |
| 9 (C) | 147.8 |
| 10 (C) | 139.3 |
| 11 (C) | 125.6 |
| 12 (C) | 134 |
| 13 (C) | 135.3 |
| 14 (CH) | 131 |
| 15 (C) | 128.6 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 13.5 |
| 9a (C) | 165.7 |
| 9b (CH2) | 28.8 |
| 9c (CH2) | 27 |
| 9d (CH2) | 31.4 |
| 9e (CH2) | 22.3 |
| 9f (CH3) | 13.9 |
