CID 10994120

Tetrahydrocurcumin diacetate

Structural Information

Molecular Formula
C25H28O8
SMILES
CC(=O)OC1=C(C=C(C=C1)CCC(=O)CC(=O)CCC2=CC(=C(C=C2)OC(=O)C)OC)OC
InChI
InChI=1S/C25H28O8/c1-16(26)32-22-11-7-18(13-24(22)30-3)5-9-20(28)15-21(29)10-6-19-8-12-23(33-17(2)27)25(14-19)31-4/h7-8,11-14H,5-6,9-10,15H2,1-4H3
InChIKey
JCINEFFCWGNLKF-UHFFFAOYSA-N
Compound name
[4-[7-(4-acetyloxy-3-methoxyphenyl)-3,5-dioxoheptyl]-2-methoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

456.1784 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.18568 205.8
[M+Na]+ 479.16762 215.7
[M+NH4]+ 474.21222 208.2
[M+K]+ 495.14156 211.8
[M-H]- 455.17112 205.8
[M+Na-2H]- 477.15307 208.6
[M]+ 456.17785 206.7
[M]- 456.17895 206.7
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