Spektraris NMR
Azelin 7-O-(2-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranoside
Common Name: Azelin 7-O-(2-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranoside
Synonyms: Azelin 7-O-(2-O-beta-D-xylopyranosyl-alpha-L-rhamnopyranoside
CAS Registry Number:
InChI: InChI=1S/C32H38O18/c1-10-19(36)23(40)26(43)31(45-10)49-28-22(39)18-15(34)7-14(8-17(18)48-27(28)12-3-5-13(33)6-4-12)47-32-29(24(41)20(37)11(2)46-32)50-30-25(42)21(38)16(35)9-44-30/h3-8,10-11,16,19-21,23-26,29-38,40-43H,9H2,1-2H3/t10-,11-,16+,19-,20-,21-,23+,24+,25+,26+,29+,30-,31-,32-/m0/s1
InChIKey: InChIKey=HFVRSZGPXFXZLJ-DETDWBCYSA-N
Formula: C32H38O18
Molecular Weight: 710.634586
Exact Mass: 710.205814
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - El-Sayed, N.H., Awaad, A.S., Hifnawy, M.S., Mabry, T.J. Phytochemistry (1999) 51, 591-3
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) | 157.1 |
| 3 (C) | 133.7 |
| 4 (C) | 177.6 |
| 5 (C) | 160.9 |
| 6 (CH) | 99.4 |
| 7 (C) | 161.7 |
| 8 (CH) | 94.6 |
| 9 (C) | 156 |
| 10 (C) | 105.8 |
| 1' (C) | 120.8 |
| 2' (CH) | 130.7 |
| 3' (CH) | 115.1 |
| 4' (C) | 159.4 |
| 5' (CH) | 115.1 |
| 6' (CH) | 130.7 |
| 1'' (CH) | 101 |
| 2'' (CH) | 70.2 |
| 3'' (CH) | 69.9 |
| 4'' (CH) | 72.1 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.1 |
| 1''' (CH) | 98.5 |
| 2''' (CH) | 80.8 |
| 3''' (CH) | 67.3 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 70.1 |
| 6''' (CH3) | 17.8 |
| 1'''' (CH) | 106.3 |
| 2'''' (CH) | 73.8 |
| 3'''' (CH) | 76.8 |
| 4'''' (CH) | 69.5 |
| 5'''' (CH2) | 66 |
