Spektraris NMR
3-(2,3-dihydroxy-4-methoxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Common Name: 3-(2,3-dihydroxy-4-methoxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Synonyms: 3-(2,3-dihydroxy-4-methoxyphenyl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-11(2)4-5-13-16(22)8-6-14-18(23)15(10-27-21(13)14)12-7-9-17(26-3)20(25)19(12)24/h4,6-9,15,22,24-25H,5,10H2,1-3H3
InChIKey: InChIKey=JCQXUPLVXUGUEL-UHFFFAOYSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lambert, M., Staerk, D., Hansen, S.H., Sairafianpour, M., Jaroszewski, J.W. J Nat Prod (2005) 68, 1500-9
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 70.4 |
| 3 (CH) | 46.4 |
| 4 (C) | 192.9 |
| 5 (CH) | 127.5 |
| 6 (CH) | 110.9 |
| 7 (C) | 161.7 |
| 8 (C) | 114.3 |
| 9 (C) | 161.1 |
| 10 (C) | 114.2 |
| 1' (C) | 115.9 |
| 2' (C) | 142.8 |
| 3' (C) | 134 |
| 4' (C) | 146.9 |
| 5' (CH) | 103.7 |
| 6' (CH) | 118.5 |
| 1'' (CH2) | 22 |
| 2'' (CH) | 121 |
| 3'' (C) | 135.4 |
| 4'' (CH3) | 18 |
| 5'' (CH3) | 25.8 |
| 4'a (CH3) | 56.4 |
