Spektraris NMR
Azorelloide
Common Name: Azorelloide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-12(2)13-5-6-14-17(13,3)7-9-19-10-8-18(4,22-16(19)21)15-11-20(14,15)19/h12-15H,5-11H2,1-4H3/t13-,14-,15+,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=PVBHKDWHAKOECD-WJMILYJBSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Colloca, C.B., Pappano, D.B., Bustos, D.A., Sosa, V.E., Baggio, R.F., Garland, M.T., Gil, R.R. Phytochemistry (2004) 65, 2085-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Mulinanes; 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 (CH2) | 21.8 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 58.8 |
| 4 (CH) | 31.6 |
| 5 (C) | 44 |
| 6 (CH2) | 36.2 |
| 7 (CH2) | 26.3 |
| 8 (C) | 43.4 |
| 9 (C) | 19.3 |
| 10 (CH) | 46.2 |
| 11 (CH2) | 5.8 |
| 12 (CH) | 20.7 |
| 13 (C) | 78.5 |
| 14 (CH2) | 33.4 |
| 15 (CH2) | 25.9 |
| 16 (CH3) | 25.3 |
| 17 (C) | 177 |
| 18 (CH3) | 23.8 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 11.9 |
