Spektraris NMR
Kaempferol-3-O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranoside
Common Name: Kaempferol-3-O-(2,3,4-tri-O-acetyl-α-L-rhamnopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H26O13/c1-11-22(36-12(2)28)25(37-13(3)29)26(38-14(4)30)27(35-11)40-24-21(34)20-18(33)9-17(32)10-19(20)39-23(24)15-5-7-16(31)8-6-15/h5-11,22,25-27,31-33H,1-4H3/t11-,22-,25+,26+,27-/m0/s1
InChIKey: InChIKey=OFWDHNGVKNRLFY-LHZKXVGGSA-N
Formula: C27H26O13
Molecular Weight: 558.488593
Exact Mass: 558.137341
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Usia, T., Iwata, H., Hiratsuka, A., Watabe, T., Kadota, S., Tezuka, Y. J Nat Prod (2004) 67, 1079-83
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) | 157 |
| 3 (C) | 134.9 |
| 4 (C) | 177.9 |
| 5 (C) | 158.1 |
| 6 (CH) | 94 |
| 7 (C) | 162.5 |
| 8 (CH) | 98.2 |
| 9 (C) | 162.3 |
| 10 (C) | 105.2 |
| 1' (C) | 122.1 |
| 2' (CH) | 130.7 |
| 3' (CH) | 115.8 |
| 4' (C) | 161.3 |
| 5' (CH) | 115.8 |
| 6' (CH) | 130.7 |
| 1'' (CH) | 99.3 |
| 2'' (CH) | 69.3 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 69 |
| 5'' (CH) | 68.4 |
| 6'' (CH3) | 17.1 |
| 2''a (C) | 171.4 |
| 2''b (CH3) | 20.9 |
| 3''a (C) | 170 |
| 3''b (CH3) | 20.8 |
| 4''a (C) | 169.9 |
| 4''b (CH3) | 20.7 |
