Spektraris NMR
Toralactone-9-O-b-D-glucopyranoside
Common Name: Toralactone-9-O-b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O10/c1-8-3-9-4-10-5-11(28-2)6-12(14(10)17(24)15(9)20(27)29-8)30-21-19(26)18(25)16(23)13(7-22)31-21/h3-6,13,16,18-19,21-26H,7H2,1-2H3/t13-,16-,18+,19-,21-/m1/s1
InChIKey: InChIKey=MWEQUYGNDXCXGS-GUTCHGCDSA-N
Formula: C21H22O10
Molecular Weight: 434.3942
Exact Mass: 434.121297
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fang, J.J., Ye, G., Chen, W.L., Zhao, W.M. Phytochemistry (2008) 69, 1279-86
Species:
Notes: Family : Isochromans, Type : Isocoumarins, Group : Benzoisocoumarins; 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) | 166.8 |
| 3 (C) | 152.8 |
| 4 (CH) | 104.2 |
| 5 (CH) | 111.9 |
| 6 (CH) | 100.5 |
| 7 (C) | 161.4 |
| 8 (CH) | 101.8 |
| 9 (C) | 157.8 |
| 10 (C) | 162.6 |
| 11 (CH3) | 18.9 |
| 1' (CH) | 101.3 |
| 2' (CH) | 73.4 |
| 3' (CH) | 77.4 |
| 4' (CH) | 69.8 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 60.8 |
| 4a (C) | 132.6 |
| 5a (C) | 141.7 |
| 7a (CH3) | 55.6 |
| 9a (C) | 109.3 |
| 10a (C) | 98.6 |
