Spektraris NMR
Fascicularone B
Common Name: Fascicularone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-7-5-14(17)11(16)19-10-9-8(6-12(9,2)3)13(14,4)15(7,10)18/h7-10,17-18H,5-6H2,1-4H3/t7-,8+,9-,10+,13+,14+,15-/m1/s1
InChIKey: InChIKey=JHJQFYPUGZHONZ-PCHBDJRGSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
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) | 56.3 |
| 2 (CH) | 88 |
| 3 (C) | 89.5 |
| 4 (CH) | 38.5 |
| 5 (CH2) | 42.5 |
| 6 (C) | 81 |
| 7 (C) | 56.1 |
| 8 (CH) | 36.7 |
| 9 (CH2) | 33.5 |
| 10 (C) | 33 |
| 11 (CH3) | 33.9 |
| 12 (CH3) | 23.9 |
| 13 (CH3) | 14.4 |
| 14 (CH3) | 7.7 |
| 15 (C) | 178.5 |
