Spektraris NMR
3-(β-D-Glucopiranosyloxy methyl) -2,4,4-trimethyl-2,5-ciclohexaidien-1-one
Common Name: 3-(β-D-Glucopiranosyloxy methyl) -2,4,4-trimethyl-2,5-ciclohexaidien-1-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O7/c1-8-9(16(2,3)5-4-10(8)18)7-22-15-14(21)13(20)12(19)11(6-17)23-15/h4-5,11-15,17,19-21H,6-7H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
InChIKey: InChIKey=AVQPBBJHNZOOAL-UXXRCYHCSA-N
Formula: C16H24O7
Molecular Weight: 328.358187
Exact Mass: 328.152203
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Erdelmeier, C.A.J., Sticher, O. Phytochemistry (1986) 25, 741-3
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Cyclocitrals; 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) | 187.1 |
| 2 (CH) | 126.1 |
| 3 (CH) | 160.5 |
| 4 (C) | 41.3 |
| 5 (C) | 163.3 |
| 6 (C) | 128.8 |
| 7 (CH3) | 25.5 |
| 8 (CH3) | 25.5 |
| 9 (CH2) | 66.3 |
| 10 (CH3) | 11.6 |
| 1' (CH) | 104.2 |
| 2' (CH) | 75 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.9 |
