Spektraris NMR
1-O-β-D-Glucopyranosyl-4-hydroxy-2-(3'-hydroxy-3'-methylbutyl)benzene
Common Name: 1-O-β-D-Glucopyranosyl-4-hydroxy-2-(3'-hydroxy-3'-methylbutyl)benzene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O8/c1-17(2,23)6-5-9-7-10(19)3-4-11(9)24-16-15(22)14(21)13(20)12(8-18)25-16/h3-4,7,12-16,18-23H,5-6,8H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey: InChIKey=NVVCRYYAVJOOKS-IBEHDNSVSA-N
Formula: C17H26O8
Molecular Weight: 358.384209
Exact Mass: 358.162768
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Gongora, L., Manez, S., Giner, R.M., Carmen Recio, M., Gray, A.I., Rios, J.L. Phytochemistry (2002) 59, 857-60
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylisoprenoids; 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) | 135.2 |
| 2 (C) | 153.6 |
| 3 (CH) | 118.5 |
| 4 (CH) | 117.2 |
| 5 (C) | 150.3 |
| 6 (CH) | 113.9 |
| 7 (CH2) | 26.1 |
| 8 (CH2) | 45.2 |
| 9 (C) | 71.5 |
| 10 (CH3) | 28.9 |
| 11 (CH3) | 29.4 |
| 1' (CH) | 104.2 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.6 |
