Spektraris NMR
4-Oxo-α-ylangene
Common Name: 4-Oxo-α-ylangene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10,12-14H,5-6H2,1-4H3/t10-,12-,13-,14-,15+/m0/s1
InChIKey: InChIKey=CTFSUCDHRVDRKG-MFGQWXODSA-N
Formula: C15H22O1
Molecular Weight: 218.33514
Exact Mass: 218.167065
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Song, P.Y., Wang, S.K., Dai, C.F. J Nat Prod (2004) 67, 1650-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ylangenes; 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 (C) | 56.9 |
| 2 (CH) | 46.7 |
| 3 (C) | 169.6 |
| 4 (CH) | 122.3 |
| 5 (C) | 203.3 |
| 6 (CH) | 64.3 |
| 7 (CH) | 56.4 |
| 8 (CH) | 44.9 |
| 9 (CH2) | 22.1 |
| 10 (CH2) | 36.7 |
| 11 (CH3) | 20.4 |
| 12 (CH3) | 24 |
| 13 (CH) | 32 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 19.5 |
