Spektraris NMR
7-Deacetylazadirone
Common Name: 7-Deacetylazadirone
Synonyms: 7-Deacetylazadirone
CAS Registry Number:
InChI: InChI=1S/C26H34O3/c1-23(2)20-14-22(28)26(5)18-7-6-17(16-10-13-29-15-16)24(18,3)11-8-19(26)25(20,4)12-9-21(23)27/h7,9-10,12-13,15,17,19-20,22,28H,6,8,11,14H2,1-5H3/t17-,19+,20-,22+,24-,25+,26-/m0/s1
InChIKey: InChIKey=CKDPEAINBFYEHJ-JDGKMSDRSA-N
Formula: C26H34O3
Molecular Weight: 394.547334
Exact Mass: 394.250795
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) | 158.2 |
| 2 (CH) | 125.44 |
| 3 (C) | 205.11 |
| 4 (C) | 44.17 |
| 5 (CH) | 44.43 |
| 6 (CH2) | 24.21 |
| 7 (CH) | 71.5 |
| 8 (C) | 44.82 |
| 9 (CH) | 36.89 |
| 10 (C) | 40.16 |
| 11 (CH2) | 16.22 |
| 12 (CH2) | 32.2 |
| 13 (C) | 47.29 |
| 14 (C) | 161.16 |
| 15 (CH) | 120.05 |
| 16 (CH2) | 34.29 |
| 17 (CH) | 51.48 |
| 18 (CH3) | 20.22 |
| 19 (CH3) | 18.92 |
| 20 (C) | 124.24 |
| 21 (CH) | 139.7 |
| 22 (CH) | 110.97 |
| 23 (CH) | 142.65 |
| 28 (CH3) | 27.1 |
| 29 (CH3) | 21.48 |
| 30 (CH3) | 27.54 |
