Spektraris NMR
4,11(13)-cadinadien-12-al
Common Name: 4,11(13)-cadinadien-12-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15-/m1/s1
InChIKey: InChIKey=SVAPNGMAOHQQFJ-UQOMUDLDSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bardon, A., Kamiya, N., Toyota, M., Takaoka, S., Asakawa, Y. Phytochemistry (1999) 52, 1323-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 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) | 46.5 |
| 2 (CH2) | 26.8 |
| 3 (CH2) | 31.2 |
| 4 (C) | 134.4 |
| 5 (CH) | 123.7 |
| 6 (CH) | 44.2 |
| 7 (CH) | 34.1 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 35.9 |
| 10 (CH) | 36.5 |
| 11 (C) | 154.1 |
| 12 (CH2) | 133.4 |
| 13 (CH) | 193.7 |
| 14 (CH3) | 23.6 |
| 15 (CH3) | 19.8 |
