Spektraris NMR
2-(4-Hydroxyphenyl)-3-[5-O-(3,4,5-trihydroxybenzoyl)-alpha-L-arabinofuranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
![2-(4-Hydroxyphenyl)-3-[5-O-(3,4,5-trihydroxybenzoyl)-alpha-L-arabinofuranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one](/nmr/static/nmr/svg/18436.svg)
Common Name: 2-(4-Hydroxyphenyl)-3-[5-O-(3,4,5-trihydroxybenzoyl)-alpha-L-arabinofuranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
Synonyms: 2-(4-Hydroxyphenyl)-3-[5-O-(3,4,5-trihydroxybenzoyl)-alpha-L-arabinofuranosyloxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C27H22O14/c28-12-3-1-10(2-4-12)24-25(22(35)19-14(30)7-13(29)8-17(19)39-24)41-27-23(36)21(34)18(40-27)9-38-26(37)11-5-15(31)20(33)16(32)6-11/h1-8,18,21,23,27-34,36H,9H2/t18-,21-,23+,27-/m0/s1
InChIKey: InChIKey=KBPZGUFFGQEGLH-GABSKDJNSA-N
Formula: C27H22O14
Molecular Weight: 570.456235
Exact Mass: 570.100955
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Hussein, A.A., Barberena, I., Correa, M., Coley, P.D., Solis, P.N., Gupta, M.P. J Nat Prod (2005) 68, 231-3
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) | 157.6 |
| 3 (C) | 134.2 |
| 4 (C) | 179.8 |
| 5 (C) | 160.6 |
| 6 (CH) | 99.3 |
| 7 (C) | 164.9 |
| 8 (CH) | 94.3 |
| 9 (C) | 158.1 |
| 10 (C) | 105.1 |
| 1' (C) | 122.1 |
| 2' (CH) | 131.3 |
| 3' (CH) | 116.1 |
| 4' (C) | 159 |
| 5' (CH) | 116.1 |
| 6' (CH) | 131.3 |
| 1'' (CH) | 108.9 |
| 2'' (CH) | 84.7 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 84.9 |
| 5'' (CH2) | 64.2 |
| 5''a (C) | 166.8 |
| 5''b (C) | 121.1 |
| 5''c (CH) | 109.9 |
| 5''d (C) | 145.6 |
| 5''e (C) | 138.5 |
| 5''f (C) | 145.6 |
| 5''g (CH) | 109.9 |
