Spektraris NMR
Xylarenic acid
Common Name: Xylarenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9(13(16)17)11-7-14(2,3)8-12-10(11)5-6-15(12,4)18/h10,12,18H,5-8H2,1-4H3,(H,16,17)/b11-9-/t10?,12?,15-/m0/s1
InChIKey: InChIKey=FMPSNIUPCNLEGV-SULQMKTISA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, Z.Y., Li, Y.Y., Huang, Y.J., Su, W.J., Shen, Y.M. Helv Chim Acta (2008) 91, 46-52
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Brasilanes; 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) | 53.3 |
| 2 (CH2) | 38.5 |
| 3 (C) | 33.3 |
| 4 (CH2) | 45.1 |
| 5 (C) | 146.3 |
| 6 (CH) | 48.9 |
| 7 (CH2) | 28.1 |
| 8 (CH2) | 41.7 |
| 9 (C) | 77.6 |
| 10 (C) | 122.6 |
| 11 (CH3) | 16.1 |
| 12 (C) | 175.3 |
| 13 (CH3) | 32 |
| 14 (CH3) | 27.1 |
| 15 (CH3) | 25.7 |
