Spektraris NMR
1-[2alpha-[1-(Hydroxymethyl)vinyl]-3beta-(beta-D-glucopyranosyloxy)-2,3-dihydrobenzofuran-5-yl]ethanone
![1-[2alpha-[1-(Hydroxymethyl)vinyl]-3beta-(beta-D-glucopyranosyloxy)-2,3-dihydrobenzofuran-5-yl]ethanone](/nmr/static/nmr/svg/8863.svg)
Common Name: 1-[2alpha-[1-(Hydroxymethyl)vinyl]-3beta-(beta-D-glucopyranosyloxy)-2,3-dihydrobenzofuran-5-yl]ethanone
Synonyms: 1-[2alpha-[1-(Hydroxymethyl)vinyl]-3beta-(beta-D-glucopyranosyloxy)-2,3-dihydrobenzofuran-5-yl]ethanone
CAS Registry Number:
InChI: InChI=1S/C19H24O9/c1-8(6-20)17-18(11-5-10(9(2)22)3-4-12(11)26-17)28-19-16(25)15(24)14(23)13(7-21)27-19/h3-5,13-21,23-25H,1,6-7H2,2H3/t13-,14-,15+,16-,17-,18+,19+/m1/s1
InChIKey: InChIKey=CEMMFWBLFIAHDO-XMFPSASZSA-N
Formula: C19H24O9
Molecular Weight: 396.389204
Exact Mass: 396.142032
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Dobner, M.J., Ellmerer, E.P., Schwaiger, S., Batsugkh, O., Narantuya, S., Stutz, M., Stuppner, H. Helv Chim Acta (2003) 86, 733-8
Species:
Notes: Family : Benzofuranoids; 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 |
|---|---|
| 2 (CH) | 89.3 |
| 3 (CH) | 81.1 |
| 4 (CH) | 130.9 |
| 5 (C) | 132.2 |
| 6 (CH) | 133 |
| 7 (CH) | 110.9 |
| 8 (C) | 165.5 |
| 9 (C) | 129.2 |
| 1' (CH) | 105.4 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.8 |
| 2a (C) | 144.8 |
| 2b (CH2) | 114.4 |
| 2c (CH2) | 63.5 |
| 5a (C) | 199.6 |
| 5b (CH3) | 26.5 |
