Kaempferol 7-O-(6-trans-caffeoyl)-β--Dglucopyranosyl-(1-->3)-α-L-rhamnopyranoside-3-O-β-D-glucopyranoside

Kaempferol 7-O-(6-trans-caffeoyl)-β--Dglucopyranosyl-(1-->3)-α-L-rhamnopyranoside-3-O-β-D-glucopyranoside

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H46O23/c1-15-28(49)38(64-41-35(56)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)36(57)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)39(31(27)52)65-40-34(55)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,38,40-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,38+,40-,41-,42-/m0/s1

InChIKey: InChIKey=ZFAHFNHITMYOLF-KBHLDNDPSA-N

Formula: C42H46O23

Molecular Weight: 918.802496

Exact Mass: 918.242988

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) 157.9
3 (C) 136
4 (C) 179.5
5 (C) 162.5
6 (CH) 100.1
7 (C) 163
8 (CH) 95.6
9 (C) 157.3
10 (C) 107.7
1' (C) 123
2' (CH) 132.6
3' (CH) 116.1
4' (C) 161.4
5' (CH) 116.1
6' (CH) 132.6
1'' (CH) 104
2'' (CH) 75.8
3'' (CH) 77.8
4'' (CH) 71.5
5'' (CH) 78.3
6'' (CH2) 62.8
1''' (CH) 99.1
2''' (CH) 71.9
3''' (CH) 83.6
4''' (CH) 72.7
5''' (CH) 71.4
6''' (CH3) 18.2
1'''' (CH) 106.4
2'''' (CH) 75.8
3'''' (CH) 78.2
4'''' (CH) 75.2
5'''' (CH) 75.8
6'''' (CH2) 64.8
1''''' (C) 169
2''''' (CH) 114.6
3''''' (CH) 147.3
4''''' (C) 127.2
5''''' (CH) 114.6
6''''' (C) 149.6
7''''' (C) 145.6
8''''' (CH) 122.9
9''''' (CH) 123.8