Spektraris NMR
6-[4-(Cinnamoyloxy)-3-methylbutyryl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
![6-[4-(Cinnamoyloxy)-3-methylbutyryl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one](/nmr/static/nmr/svg/5612.svg)
Common Name: 6-[4-(Cinnamoyloxy)-3-methylbutyryl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
Synonyms: 6-[4-(Cinnamoyloxy)-3-methylbutyryl]-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4-phenyl-2H-1-benzopyran-2-one
CAS Registry Number:
InChI: InChI=1S/C34H32O7/c1-21(2)14-16-25-32(38)31(27(35)18-22(3)20-40-28(36)17-15-23-10-6-4-7-11-23)33(39)30-26(19-29(37)41-34(25)30)24-12-8-5-9-13-24/h4-15,17,19,22,38-39H,16,18,20H2,1-3H3/b17-15+
InChIKey: InChIKey=RYOCGBKLTMGWME-BMRADRMJSA-N
Formula: C34H32O7
Molecular Weight: 552.614959
Exact Mass: 552.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz F.G., Moreira L.M., David J.M., Guedes M.L.S., Chavez J.P. Phytochemistry (1998) 47, 1363
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) | 158.9 |
| 3 (CH) | 112.8 |
| 4 (C) | 154.6 |
| 5 (C) | 156.5 |
| 6 (C) | 105.2 |
| 7 (C) | 167.4 |
| 8 (C) | 113.2 |
| 9 (C) | 157.9 |
| 10 (C) | 101.1 |
| 1' (C) | 137.4 |
| 2' (CH) | 128 |
| 3' (CH) | 130.1 |
| 4' (CH) | 130.7 |
| 5' (CH) | 130.1 |
| 6' (CH) | 128 |
| 6a (C) | 205.5 |
| 6b (CH2) | 49.3 |
| 6c (CH) | 30.7 |
| 6d (CH2) | 69.4 |
| 6e (C) | 167.1 |
| 6f (CH) | 118.7 |
| 6g (CH) | 145.2 |
| 6h (C) | 135.1 |
| 6i (CH) | 128.6 |
| 6j (CH) | 129.4 |
| 6k (CH) | 130.8 |
| 6l (CH) | 129.4 |
| 6m (CH) | 128.6 |
| 6ca (CH3) | 18.4 |
| 8a (CH2) | 22.1 |
| 8b (CH) | 121.3 |
| 8c (C) | 134.7 |
| 8d (CH3) | 26.2 |
| 8ca (CH3) | 17.9 |
