Spektraris NMR
Malkanguniol
Common Name: Malkanguniol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O5/c1-8-4-5-10(17)14(7-16)12(19)11(18)9-6-15(8,14)20-13(9,2)3/h8-12,16-19H,4-7H2,1-3H3/t8-,9+,10+,11+,12+,14+,15+/m0/s1
InChIKey: InChIKey=WJQYICKGOFSICL-WKBKPIFPSA-N
Formula: C15H26O5
Molecular Weight: 286.364523
Exact Mass: 286.178024
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - den Hertog, H.J., Kruk, C., Nanavati, D.D., Dev, S. Tetrahedron Lett (1974) 15, 2219
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Agarofurans; 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) | 69.7 |
| 2 (CH2) | 25.7 |
| 3 (CH2) | 27.4 |
| 4 (CH) | 40 |
| 5 (C) | 87.4 |
| 6 (CH2) | 35.6 |
| 7 (CH) | 50.5 |
| 8 (CH) | 71.7 |
| 9 (CH) | 69.8 |
| 10 (C) | 51.9 |
| 11 (C) | 80.9 |
| 12 (CH3) | 25.7 |
| 13 (CH3) | 31.8 |
| 14 (CH2) | 61.3 |
| 15 (CH3) | 17.2 |
