Spektraris NMR
Fascicularone I
Common Name: Fascicularone I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O5/c1-6-9(16)15(19)11(17)20-10-8-7(5-12(8,2)3)13(15,4)14(6,10)18/h6-10,16,18-19H,5H2,1-4H3/t6-,7+,8-,9+,10+,13-,14-,15-/m1/s1
InChIKey: InChIKey=LLSVGPGDHSNECB-PVVSELRPSA-N
Formula: C15H22O5
Molecular Weight: 282.33276
Exact Mass: 282.146724
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) | 56.4 |
| 2 (CH) | 87.7 |
| 3 (C) | 88.7 |
| 4 (CH) | 42.2 |
| 5 (CH) | 75.6 |
| 6 (C) | 86.7 |
| 7 (C) | 55 |
| 8 (CH) | 37 |
| 9 (CH2) | 33.8 |
| 10 (C) | 33.2 |
| 11 (CH3) | 33.8 |
| 12 (CH3) | 24.1 |
| 13 (CH3) | 8 |
| 14 (CH3) | 8.5 |
| 15 (C) | 174.9 |
