Spektraris NMR
Kaempferol 3-O-rutinoside-7-O-rutinoside
Common Name: Kaempferol 3-O-rutinoside-7-O-rutinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H50O25/c1-11-21(43)26(48)30(52)36(58-11)56-9-19-24(46)29(51)33(55)39(63-19)64-35-25(47)20-15(42)6-14(7-16(20)60-34(35)12-2-4-13(41)5-3-12)59-38-32(54)28(50)23(45)18(62-38)10-57-37-31(53)27(49)22(44)17(8-40)61-37/h2-7,11,17-19,21-24,26-33,36-46,48-55H,8-10H2,1H3/t11-,17+,18+,19+,21-,22+,23+,24+,26+,27-,28-,29-,30+,31+,32+,33+,36+,37+,38+,39-/m0/s1
InChIKey: InChIKey=SNQCCXNXXSRKKM-NOFTXLNASA-N
Formula: C39H50O25
Molecular Weight: 918.800861
Exact Mass: 918.264117
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Manguro, L.O., Wagai, S.O., Lemmen, P. Phytochemistry (2006) 67, 830-7
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) | 156.8 |
| 3 (C) | 133.8 |
| 4 (C) | 177.7 |
| 5 (C) | 160.8 |
| 6 (CH) | 99.2 |
| 7 (C) | 163.5 |
| 8 (CH) | 93.9 |
| 9 (C) | 156.9 |
| 10 (C) | 105.6 |
| 1' (C) | 122 |
| 2' (CH) | 132 |
| 3' (CH) | 115.8 |
| 4' (C) | 159 |
| 5' (CH) | 116 |
| 6' (CH) | 131.2 |
| 1'' (CH) | 103.7 |
| 2'' (CH) | 74 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 70.1 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 67.9 |
| 1''' (CH) | 100.3 |
| 2''' (CH) | 70.5 |
| 3''' (CH) | 71.8 |
| 4''' (CH) | 72.1 |
| 5''' (CH) | 69.8 |
| 6''' (CH3) | 17.8 |
| 1'''' (CH) | 104.5 |
| 2'''' (CH) | 74.6 |
| 3'''' (CH) | 76.8 |
| 4'''' (CH) | 69.6 |
| 5'''' (CH) | 77 |
| 6'''' (CH2) | 68 |
| 1''''' (CH) | 103.5 |
| 2''''' (CH) | 73.7 |
| 3''''' (CH) | 76.3 |
| 4''''' (CH) | 70.1 |
| 5''''' (CH) | 76.6 |
| 6''''' (CH2) | 60.2 |
