CID 5317745

Glycerol trisinapate

Structural Information

Molecular Formula
C36H38O15
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OCC(OC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC)COC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC
InChI
InChI=1S/C36H38O15/c1-43-25-13-21(14-26(44-2)34(25)40)7-10-31(37)49-19-24(51-33(39)12-9-23-17-29(47-5)36(42)30(18-23)48-6)20-50-32(38)11-8-22-15-27(45-3)35(41)28(16-22)46-4/h7-18,24,40-42H,19-20H2,1-6H3/b10-7+,11-8+,12-9+
InChIKey
FEUWBELGELLWPV-SRDSWEMOSA-N
Compound name
2,3-bis[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy]propyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

710.22107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 711.22835 270.9
[M+Na]+ 733.21029 267.4
[M+NH4]+ 728.25489 270.6
[M+K]+ 749.18423 267.2
[M-H]- 709.21379 268.3
[M+Na-2H]- 731.19574 271.1
[M]+ 710.22052 269.7
[M]- 710.22162 269.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.