Spektraris NMR
Kaempferol 3-O-β-D-apiofuranoside 7-O-α-L-lrhamnosyl-(1''''-->6''')-O-β-D-galactopyranoside
Common Name: Kaempferol 3-O-β-D-apiofuranoside 7-O-α-L-lrhamnosyl-(1''''-->6''')-O-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38O19/c1-11-19(36)22(39)24(41)29(47-11)45-8-17-20(37)23(40)25(42)30(50-17)48-14-6-15(35)18-16(7-14)49-26(12-2-4-13(34)5-3-12)27(21(18)38)51-31-28(43)32(44,9-33)10-46-31/h2-7,11,17,19-20,22-25,28-31,33-37,39-44H,8-10H2,1H3/t11-,17-,19-,20+,22+,23+,24+,25-,28-,29+,30+,31-,32+/m0/s1
InChIKey: InChIKey=XKDYFRZJOFUFSX-GSRVVVMOSA-N
Formula: C32H38O19
Molecular Weight: 726.633991
Exact Mass: 726.200729
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - el-Sayed, N.H., Wojcinska, M., Drost-Karbowska, K., Matlawska, I., Williams, J., Mabry, T.J. Phytochemistry (2002) 60, 835-8
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) | 157.03 |
| 3 (C) | 133.37 |
| 4 (C) | 177 |
| 5 (C) | 160.85 |
| 6 (CH) | 99.18 |
| 7 (C) | 162.38 |
| 8 (CH) | 94.25 |
| 9 (C) | 155.9 |
| 10 (C) | 106 |
| 1' (C) | 121 |
| 2' (CH) | 131 |
| 3' (CH) | 115.2 |
| 4' (C) | 160.21 |
| 5' (CH) | 115.2 |
| 6' (CH) | 131 |
| 1'' (CH) | 101.93 |
| 2'' (CH) | 70.28 |
| 3'' (CH) | 72.86 |
| 4'' (CH) | 67.93 |
| 5'' (CH) | 73.53 |
| 6'' (CH2) | 65.32 |
| 1''' (CH) | 107.04 |
| 2''' (CH) | 75.94 |
| 3''' (C) | 78.58 |
| 4''' (CH2) | 74.51 |
| 5''' (CH2) | 61.85 |
| 1'''' (CH) | 99.99 |
| 2'''' (CH) | 70.99 |
| 3'''' (CH) | 70.49 |
| 4'''' (CH) | 71.81 |
| 5'''' (CH) | 68.15 |
| 6'''' (CH3) | 17.8 |
