Kaempferol 7-O-(6-trans-p-coumaroyl)-β-D-glucopyranosyl-(1-->3)-α-L-rhamnopyranoside-3-O-β-D-glucopyranoside

Kaempferol 7-O-(6-trans-p-coumaroyl)-β-D-glucopyranosyl-(1-->3)-α-L-rhamnopyranoside-3-O-β-D-glucopyranoside

Common Name: Kaempferol 7-O-(6-trans-p-coumaroyl)-β-D-glucopyranosyl-(1-->3)-α-L-rhamnopyranoside-3-O-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H46O22/c1-16-28(48)38(63-41-35(55)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17)36(56)42(58-16)59-21-12-22(46)27-23(13-21)60-37(18-5-9-20(45)10-6-18)39(31(27)51)64-40-34(54)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,38,40-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1

InChIKey: InChIKey=CYMIHPZMEGGNPY-LFTZDLSMSA-N

Formula: C42H46O22

Molecular Weight: 902.803091

Exact Mass: 902.248073

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Fico, G., Braca, A., De Tommasi, N., Tome, F., Morelli, I. Phytochemistry (2001) 57, 543-6

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) 157.8
3 (C) 135.9
4 (C) 179.7
5 (C) 162.7
6 (CH) 100
7 (C) 163.1
8 (CH) 95.7
9 (C) 157.8
10 (C) 107.5
1' (C) 122.9
2' (CH) 132.5
3' (CH) 116.1
4' (C) 161.7
5' (CH) 116.1
6' (CH) 132.5
1'' (CH) 104.2
2'' (CH) 75.8
3'' (CH) 77.8
4'' (CH) 71.5
5'' (CH) 78.3
6'' (CH2) 62.8
1''' (CH) 99.3
2''' (CH) 72
3''' (CH) 83.5
4''' (CH) 72.7
5''' (CH) 71.5
6''' (CH3) 18.3
1'''' (CH) 106.3
2'''' (CH) 75.8
3'''' (CH) 78.2
4'''' (CH) 75.2
5'''' (CH) 75.1
6'''' (CH2) 64.9
1''''' (C) 169
2''''' (CH) 114.7
3''''' (CH) 146.9
4''''' (C) 126.7
5''''' (CH) 130.9
6''''' (CH) 116.4
7''''' (C) 161
8''''' (CH) 116.4
9''''' (CH) 130.9