Spektraris NMR
4'-Acetoxy-8-(2-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)-5,7-dihydroxy-3'-methoxyflavone
Common Name: 4'-Acetoxy-8-(2-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)-5,7-dihydroxy-3'-methoxyflavone
Synonyms: 4'-Acetoxy-8-(2-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl)-5,7-dihydroxy-3'-methoxyflavone
CAS Registry Number:
InChI: InChI=1S/C29H32O16/c1-10(31)42-16-4-3-11(5-18(16)40-2)17-7-14(34)20-12(32)6-13(33)21(26(20)43-17)27-28(22(36)15(35)9-41-27)45-29-25(39)24(38)23(37)19(8-30)44-29/h3-7,15,19,22-25,27-30,32-33,35-39H,8-9H2,1-2H3/t15-,19-,22+,23-,24+,25-,27+,28-,29+/m1/s1
InChIKey: InChIKey=QDFWFXXLFSJUMJ-NNWVIFJUSA-N
Formula: C29H32O16
Molecular Weight: 636.555924
Exact Mass: 636.169035
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yayli, N., Seymen, H., Baltaci, C. Phytochemistry (2001) 58, 607-10
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) | 166.22 |
| 3 (CH) | 104.23 |
| 4 (C) | 184.15 |
| 5 (C) | 162.61 |
| 6 (CH) | 100.88 |
| 7 (C) | 164.66 |
| 8 (C) | 105.41 |
| 9 (C) | 156.8 |
| 10 (C) | 105.6 |
| 1' (C) | 124.26 |
| 2' (CH) | 111.19 |
| 3' (C) | 149.41 |
| 4' (C) | 151.79 |
| 5' (CH) | 116.73 |
| 6' (CH) | 121.81 |
| 1'' (CH) | 76.11 |
| 2'' (CH) | 82.33 |
| 3'' (CH) | 75.85 |
| 4'' (CH) | 70.03 |
| 5'' (CH2) | 71.98 |
| 1''' (CH) | 106.13 |
| 2''' (CH) | 76.11 |
| 3''' (CH) | 77.87 |
| 4''' (CH) | 70.61 |
| 5''' (CH) | 74.99 |
| 6''' (CH2) | 64.57 |
| 3'a (CH3) | 56.7 |
| 4'a (C) | 172.92 |
| 4'b (CH3) | 20.73 |
