Spektraris NMR
Kaempferol 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-(6-O-acetyl)glucopyranoside
Common Name: Kaempferol 3-O-α-L-(2-O-β-D-glucopyranosyl)rhamnopyranoside-7-O-β-D-(6-O-acetyl)glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O21/c1-11-21(40)27(46)32(56-34-29(48)25(44)22(41)18(9-36)53-34)35(50-11)55-31-24(43)20-16(39)7-15(8-17(20)52-30(31)13-3-5-14(38)6-4-13)51-33-28(47)26(45)23(42)19(54-33)10-49-12(2)37/h3-8,11,18-19,21-23,25-29,32-36,38-42,44-48H,9-10H2,1-2H3/t11-,18+,19+,21-,22+,23+,25-,26-,27+,28+,29+,32+,33+,34-,35-/m0/s1
InChIKey: InChIKey=APTFERIYNVGEPM-VJEARUSESA-N
Formula: C35H42O21
Molecular Weight: 798.696772
Exact Mass: 798.221858
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Norbaek, R., Nielsen, J.K., Kondo, T. Phytochemistry (1999) 51, 1139-46
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) | 158.2 |
| 3 (C) | 135.3 |
| 4 (C) | 178.3 |
| 5 (C) | 161.1 |
| 6 (CH) | 99.7 |
| 7 (C) | 163.1 |
| 8 (CH) | 95 |
| 9 (C) | 156.5 |
| 10 (C) | 106.2 |
| 1' (C) | 120.6 |
| 2' (CH) | 130.9 |
| 3' (CH) | 115.6 |
| 4' (C) | 160.5 |
| 5' (CH) | 115.6 |
| 6' (CH) | 130.9 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 81.6 |
| 3'' (CH) | 70 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 70.7 |
| 6'' (CH3) | 17.6 |
| 1''' (CH) | 106.5 |
| 2''' (CH) | 70.4 |
| 3''' (CH) | 76.4 |
| 4''' (CH) | 74.3 |
| 5''' (CH) | 77 |
| 6''' (CH2) | 60.7 |
| 1'''' (CH) | 100 |
| 2'''' (CH) | 73.2 |
| 3'''' (CH) | 76.5 |
| 4'''' (CH) | 69.5 |
| 5'''' (CH) | 74.1 |
| 6'''' (CH2) | 63.7 |
| 6'''a (C) | 170.5 |
| 6'''b (CH3) | 20.7 |
