Spektraris NMR
(β-D-Glucopyranosyl)-8-hydroxy-2,6-dimethyloct-2-enoate
Common Name: (β-D-Glucopyranosyl)-8-hydroxy-2,6-dimethyloct-2-enoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H28O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5,9,11-14,16-21H,3-4,6-8H2,1-2H3/b10-5+/t9?,11-,12-,13+,14-,16+/m1/s1
InChIKey: InChIKey=IVQLNJTZWHCVDN-IUHXHOJSSA-N
Formula: C16H28O8
Molecular Weight: 348.389355
Exact Mass: 348.178418
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gross, G.A., Sticher, O., Anklin, C. Helv Chim Acta (1987) 70, 91-101
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Dimethyloctanes; 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 (CH2) | 61 |
| 2 (CH2) | 40.7 |
| 3 (CH) | 30.6 |
| 4 (CH2) | 36.9 |
| 5 (CH2) | 27.4 |
| 6 (CH) | 145.8 |
| 7 (C) | 128.2 |
| 8 (C) | 168.2 |
| 9 (CH3) | 12.5 |
| 10 (CH3) | 19.9 |
| 1' (CH) | 95.9 |
| 2' (CH) | 74 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.4 |
