Spektraris NMR
Varitriol
Common Name: Varitriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-9-14(17)15(18)13(20-9)7-6-10-4-3-5-12(19-2)11(10)8-16/h3-7,9,13-18H,8H2,1-2H3/b7-6+/t9-,13+,14-,15+/m0/s1
InChIKey: InChIKey=JGUADRHIBCXAFH-XAUFSTHISA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Malmstrom, J., Christophersen, C., Barrero, A.F., Oltra, J.E., Justicia, J., Rosales, A. J Nat Prod (2002) 65, 364-7
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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 (C) | 127.9 |
| 2 (C) | 158.9 |
| 3 (CH) | 110.7 |
| 4 (CH) | 129.3 |
| 5 (CH) | 119.3 |
| 6 (C) | 139 |
| 7 (CH2) | 55.5 |
| 1' (CH) | 129.4 |
| 2' (CH) | 132.3 |
| 3' (CH) | 85.2 |
| 4' (CH) | 76.5 |
| 5' (CH) | 77.2 |
| 6' (CH) | 80.1 |
| 7' (CH3) | 19.5 |
| 2a (CH3) | 56 |
