Spektraris NMR
5-O-beta-D-Glucopyranosyl-7,4'-dimethoxy-3-hydroxy-4-phenylcoumarin
Common Name: 5-O-beta-D-Glucopyranosyl-7,4'-dimethoxy-3-hydroxy-4-phenylcoumarin
Synonyms: 5-O-beta-D-Glucopyranosyl-7,4'-dimethoxy-3-hydroxy-4-phenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C23H24O11/c1-30-11-6-15-19(12(8-18(26)32-15)10-3-4-14(31-2)13(25)5-10)16(7-11)33-23-22(29)21(28)20(27)17(9-24)34-23/h3-8,17,20-25,27-29H,9H2,1-2H3/t17-,20-,21+,22-,23-/m1/s1
InChIKey: InChIKey=FYSYTMFBANOLPM-LDBVRRDLSA-N
Formula: C23H24O11
Molecular Weight: 476.430958
Exact Mass: 476.131862
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Argotte-Ramos, R., Ramirez-Avila, G., Rodriguez-Gutierrez Mdel, C., Ovilla-Munoz, M., Lanz-Mendoza, H., Rodriguez, M.H., Gonzalez-Cortazar, M., Alvarez, L. J Nat Prod (2006) 69, 1442-4
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 162.4 |
| 3 (CH) | 113.2 |
| 4 (C) | 157.3 |
| 5 (C) | 156.1 |
| 6 (CH) | 100.1 |
| 7 (C) | 164.1 |
| 8 (CH) | 95.9 |
| 9 (C) | 156.8 |
| 10 (C) | 105.1 |
| 1' (C) | 133.4 |
| 2' (CH) | 111.4 |
| 3' (C) | 146.2 |
| 4' (C) | 148.8 |
| 5' (CH) | 104.6 |
| 6' (CH) | 113.2 |
| 1'' (CH) | 101.1 |
| 2'' (CH) | 72.9 |
| 3'' (CH) | 76.1 |
| 4'' (CH) | 69.3 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 60.6 |
| 7a (CH3) | 56.5 |
| 4'a (CH3) | 56.3 |
