Spektraris NMR
5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(4-hydroxy-3-methylbutyryl)-4-phenyl-2H-1-benzopyran-2-one
Common Name: 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(4-hydroxy-3-methylbutyryl)-4-phenyl-2H-1-benzopyran-2-one
Synonyms: 5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(4-hydroxy-3-methylbutyryl)-4-phenyl-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-14(2)9-10-17-23(29)21-18(16-7-5-4-6-8-16)12-20(28)31-25(21)22(24(17)30)19(27)11-15(3)13-26/h4-9,12,15,26,29-30H,10-11,13H2,1-3H3
InChIKey: InChIKey=RTYJWVASGLZLEA-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Scio, E., Ribeiro, A., Alves, T.M., Romanha, A.J., Shin, Y.G., Cordell, G.A., Zani, C.L. J Nat Prod (2003) 66, 634-7
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) | 157.1 |
| 3 (CH) | 112.9 |
| 4 (C) | 156.8 |
| 5 (C) | 158.9 |
| 6 (C) | 112.7 |
| 7 (C) | 167.5 |
| 8 (C) | 105.1 |
| 9 (C) | 159.3 |
| 10 (C) | 102.5 |
| 1' (C) | 140.2 |
| 2' (CH) | 129.5 |
| 3' (CH) | 129 |
| 4' (CH) | 129.3 |
| 5' (CH) | 129 |
| 6' (CH) | 129.5 |
| 6a (CH2) | 21.9 |
| 6b (CH) | 122.1 |
| 6c (C) | 133.1 |
| 6d (CH3) | 18 |
| 6e (CH3) | 25.8 |
| 8a (C) | 205.9 |
| 8b (CH2) | 49.3 |
| 8c (CH) | 34 |
| 8d (CH2) | 67.5 |
| 8e (CH3) | 17.2 |
