Spektraris NMR
1,8-Dihidroxy-3,7-dimethyl-oct-2(E)-en-1-O-β-D-glucopyranoside
Common Name: 1,8-Dihidroxy-3,7-dimethyl-oct-2(E)-en-1-O-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H30O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h6,11-21H,3-5,7-9H2,1-2H3/b10-6+/t11?,12-,13-,14+,15-,16-/m0/s1
InChIKey: InChIKey=AVPQYNOSQYWMOQ-YPTAOZDZSA-N
Formula: C16H30O7
Molecular Weight: 334.405831
Exact Mass: 334.199153
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Geringward, B., Junior, P. Planta Med (1989) 55, 75-8
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) | 66.4 |
| 2 (CH) | 121.5 |
| 3 (C) | 142 |
| 4 (CH2) | 40.8 |
| 5 (CH2) | 26.2 |
| 6 (CH2) | 33.9 |
| 7 (CH) | 36.8 |
| 8 (CH2) | 68.4 |
| 9 (CH3) | 17.1 |
| 10 (CH3) | 16.3 |
| 1' (CH) | 102.7 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.8 |
