Spektraris NMR
7-beta-D-Galactopyranosyloxy-2H-1-benzopyran-2-one
Common Name: 7-beta-D-Galactopyranosyloxy-2H-1-benzopyran-2-one
Synonyms: 7-beta-D-Galactopyranosyloxy-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12+,13+,14-,15-/m1/s1
InChIKey: InChIKey=VPAOSFFTKWUGAD-BGNCJLHMSA-N
Formula: C15H16O8
Molecular Weight: 324.28333
Exact Mass: 324.084517
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cussans, N.J., Huckerby, T.N. Tetrahedron (1975) 31, 2719-26
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 (C) | 160.3 |
| 3 (CH) | 113.2 |
| 4 (CH) | 144.2 |
| 5 (CH) | 129.5 |
| 6 (CH) | 113.8 |
| 7 (C) | 160.3 |
| 8 (CH) | 103.4 |
| 9 (C) | 155.1 |
| 10 (C) | 113.4 |
| 1' (CH) | 100.3 |
| 2' (CH) | 73.3 |
| 3' (CH) | 77.2 |
| 4' (CH) | 69.9 |
| 5' (CH) | 76.6 |
| 6' (CH2) | 60.9 |
