CID 85201166

3,5-di-o-galloyl-1,4-galactarolactone

Structural Information

Molecular Formula
C20H16O15
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OC2C(C(=O)OC2C(C(=O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O
InChI
InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)33-14-13(27)20(32)34-15(14)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29)
InChIKey
DRESSPOLWVWPPB-UHFFFAOYSA-N
Compound name
2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

496.04892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.05620 209.3
[M+Na]+ 519.03814 212.0
[M+NH4]+ 514.08274 210.6
[M+K]+ 535.01208 213.6
[M-H]- 495.04164 203.7
[M+Na-2H]- 517.02359 225.6
[M]+ 496.04837 208.3
[M]- 496.04947 208.3
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

patents stripe