Spektraris NMR
(1S,5R,6R,7S,10S)-Myli-4(15)-en-3-one
Common Name: (1S,5R,6R,7S,10S)-Myli-4(15)-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O/c1-8-10(16)7-11-14(4)6-5-9-12(13(9,2)3)15(8,11)14/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12+,14+,15-/m0/s1
InChIKey: InChIKey=ILQBQVXJORSQDH-LOISDPQCSA-N
Formula: C15H20O1
Molecular Weight: 216.319258
Exact Mass: 216.151415
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - von Reuss, S.H., Wu, C.L., Muhle, H., Konig, W.A. Phytochemistry (2004) 65, 2277-91
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cycloaromadendranes; 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) | 25.8 |
| 2 (CH2) | 37 |
| 3 (C) | 204.7 |
| 4 (C) | 149.7 |
| 5 (C) | 33 |
| 6 (CH) | 22.1 |
| 7 (CH) | 20.5 |
| 8 (CH2) | 16.1 |
| 9 (CH2) | 31.9 |
| 10 (C) | 25.5 |
| 11 (C) | 19.2 |
| 12 (CH3) | 14.9 |
| 13 (CH3) | 30.6 |
| 14 (CH3) | 15.2 |
| 15 (CH2) | 115.2 |
