Spektraris NMR
2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
![2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one](/nmr/static/nmr/svg/18829.svg)
Common Name: 2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
Synonyms: 2-[4-[6-O-[(E)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyloxy]phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-8-4-16(5-9-19)22-13-21(34)26-20(33)11-18(32)12-23(26)41-22/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=HIVMDOSHUCWOJU-ZZSHFKPLSA-N
Formula: C30H26O12
Molecular Weight: 578.521396
Exact Mass: 578.142426
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Jiao, R.H., Ge, H.M., Shi da, H., Tan, R.X. J Nat Prod (2006) 69, 1089-91
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 163.8 |
| 3 (CH) | 104.7 |
| 4 (C) | 182.6 |
| 5 (C) | 158.2 |
| 6 (CH) | 94.9 |
| 7 (C) | 165.1 |
| 8 (CH) | 100.4 |
| 9 (C) | 162.3 |
| 10 (C) | 104.7 |
| 1' (C) | 124.9 |
| 2' (CH) | 129 |
| 3' (CH) | 117.4 |
| 4' (C) | 160.8 |
| 5' (CH) | 117.4 |
| 6' (CH) | 129 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 70.8 |
| 3'' (CH) | 73.9 |
| 4'' (CH) | 77.2 |
| 5'' (CH) | 74.6 |
| 6'' (CH2) | 64.1 |
| 1''' (C) | 167.3 |
| 2''' (CH) | 114.8 |
| 3''' (CH) | 145.8 |
| 4''' (C) | 125.8 |
| 5''' (CH) | 131.2 |
| 6''' (CH) | 116.6 |
| 7''' (C) | 160.8 |
| 8''' (CH) | 116.6 |
| 9''' (CH) | 131.2 |
