CID 131750881

Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside)

Structural Information

Molecular Formula
C43H36O17
SMILES
CC(=O)OCC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)/C=C\C5=CC=C(C=C5)O)OC(=O)C)OC(=O)/C=C/C6=CC=C(C=C6)O
InChI
InChI=1S/C43H36O17/c1-22(44)54-21-33-39(58-34(51)17-7-24-3-11-27(46)12-4-24)41(55-23(2)45)42(59-35(52)18-8-25-5-13-28(47)14-6-25)43(57-33)60-40-37(53)36-31(50)19-30(49)20-32(36)56-38(40)26-9-15-29(48)16-10-26/h3-20,33,39,41-43,46-50H,21H2,1-2H3/b17-7+,18-8-
InChIKey
CVBQXRRJAJMJSI-UEBQKXMZSA-N
Compound name
[4-acetyloxy-2-(acetyloxymethyl)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

824.19525 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 825.20253 276.2
[M+Na]+ 847.18447 279.3
[M+NH4]+ 842.22907 278.6
[M+K]+ 863.15841 282.3
[M-H]- 823.18797 273.6
[M+Na-2H]- 845.16992 299.7
[M]+ 824.19470 277.2
[M]- 824.19580 277.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.