Spektraris NMR
Azadirone
Common Name: Azadirone
Synonyms: Azadirone
CAS Registry Number:
InChI: InChI=1S/C28H36O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-14,16,19,21-22,24H,7,9,12,15H2,1-6H3/t19-,21+,22-,24+,26-,27+,28-/m0/s1
InChIKey: InChIKey=XXIKKMLIDXLAIK-RFKFVWFBSA-N
Formula: C28H36O4
Molecular Weight: 436.584092
Exact Mass: 436.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 158.18 |
| 2 (CH) | 125.41 |
| 3 (C) | 204.58 |
| 4 (C) | 44.07 |
| 5 (CH) | 46.05 |
| 6 (CH2) | 23.73 |
| 7 (CH) | 74.42 |
| 8 (C) | 42.73 |
| 9 (CH) | 38.55 |
| 10 (C) | 39.87 |
| 11 (CH2) | 16.43 |
| 12 (CH2) | 32.89 |
| 13 (C) | 47.1 |
| 14 (C) | 158.78 |
| 15 (CH) | 119.01 |
| 16 (CH2) | 34.3 |
| 17 (CH) | 51.53 |
| 18 (CH3) | 21.26 |
| 19 (CH3) | 19.02 |
| 20 (C) | 124.52 |
| 21 (CH) | 139.63 |
| 22 (CH) | 111 |
| 23 (CH) | 142.52 |
| 28 (CH3) | 26.99 |
| 29 (CH3) | 20.56 |
| 30 (CH3) | 27.28 |
| 7a (C) | 170.11 |
| 7b (CH3) | 21.13 |
