CID 14630678

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

Structural Information

Molecular Formula
C34H30O14
SMILES
CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)OC(=O)C)OC(=O)C)OC(=O)/C=C/C5=CC=C(C=C5)O
InChI
InChI=1S/C34H30O14/c1-16-29(47-26(41)13-6-19-4-9-21(37)10-5-19)32(44-17(2)35)33(45-18(3)36)34(43-16)48-31-28(42)27-24(40)14-23(39)15-25(27)46-30(31)20-7-11-22(38)12-8-20/h4-16,29,32-34,37-40H,1-3H3/b13-6+
InChIKey
NEYRFFHYUHAXKD-AWNIVKPZSA-N
Compound name
[4,5-diacetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-2-methyloxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.1636 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.17088 249.3
[M+Na]+ 685.15282 250.1
[M+NH4]+ 680.19742 249.0
[M+K]+ 701.12676 253.3
[M-H]- 661.15632 243.3
[M+Na-2H]- 683.13827 268.5
[M]+ 662.16305 247.2
[M]- 662.16415 247.2
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.