Spektraris NMR
Cadina-4,10(15)-dien-3-one
Common Name: Cadina-4,10(15)-dien-3-one
Synonyms: Cadina-4,10(15)-dien-3-one
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12-14H,3,5-6,8H2,1-2,4H3/t12-,13-,14-/m0/s1
InChIKey: InChIKey=QUTSKAAVYUOEQA-IHRRRGAJSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Buchanan, G.O., Williams, L.A., Reese, P.B. Phytochemistry (2000) 54, 39-45
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) | 45.3 |
| 2 (CH2) | 41.4 |
| 3 (C) | 199.9 |
| 4 (C) | 135.5 |
| 5 (CH) | 146.4 |
| 6 (CH) | 45.3 |
| 7 (CH) | 45.1 |
| 8 (CH2) | 26.3 |
| 9 (CH2) | 35.5 |
| 10 (C) | 149.8 |
| 11 (CH) | 26.4 |
| 12 (CH3) | 21.5 |
| 13 (CH3) | 15.2 |
| 14 (CH3) | 16 |
| 15 (CH2) | 105.3 |
