Spektraris NMR
Fascicularone A
Common Name: Fascicularone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H20O4/c1-5-7-8(12(17)13(18)10(5)15)6-4-14(2,3)9(6)11(7)16/h5-6,9-11,13,15-16,18H,4H2,1-3H3/t5-,6+,9+,10-,11+,13+/m0/s1
InChIKey: InChIKey=PIWPHUKZKLFPOJ-AHPXUNCLSA-N
Formula: C14H20O4
Molecular Weight: 252.306737
Exact Mass: 252.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiono, Y., Matsuzaka, R., Wakamatsu, H., Muneta, K., Murayama, T., Ikeda, M. Phytochemistry (2004) 65, 491-6
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) | 54.5 |
| 2 (CH) | 81.3 |
| 3 (C) | 167.5 |
| 4 (CH) | 36.4 |
| 5 (CH) | 74.1 |
| 6 (CH) | 74.2 |
| 7 (C) | 196.3 |
| 8 (C) | 141.4 |
| 9 (CH) | 35.1 |
| 10 (CH2) | 38.6 |
| 11 (C) | 34.2 |
| 12 (CH3) | 32.1 |
| 13 (CH3) | 25.5 |
| 14 (CH3) | 12.7 |
