Spektraris NMR
Fascicularone J
Common Name: Fascicularone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-6-10-9(16)11(17)14(4)7-5-13(2,3)8(7)12(19-10)15(6,14)18/h6-10,12,16,18H,5H2,1-4H3/t6-,7+,8-,9+,10+,12+,14+,15-/m1/s1
InChIKey: InChIKey=HHLGPHXFAAMISI-VFJQALHXSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akasaka, F., Shiono, Y., Murayama, T., Ikeda, M. Helv Chim Acta (2005) 88, 2944-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 52.3 |
| 2 (CH) | 86.9 |
| 3 (C) | 90.9 |
| 4 (CH) | 41.5 |
| 5 (CH) | 81.3 |
| 6 (CH) | 77.6 |
| 7 (C) | 217.3 |
| 8 (C) | 64 |
| 9 (CH) | 45.3 |
| 10 (CH2) | 34.5 |
| 11 (C) | 32.9 |
| 12 (CH3) | 32.1 |
| 13 (CH3) | 24.5 |
| 14 (CH3) | 13.8 |
| 15 (CH3) | 12.6 |
