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 206.1
[M+Na]+ 479.16762 210.4
[M-H]- 455.17112 212.1
[M+NH4]+ 474.21222 214.2
[M+K]+ 495.14156 209.6
[M+H-H2O]+ 439.17566 196.5
[M+HCOO]- 501.17660 224.9
[M+CH3COO]- 515.19225 235.1
[M+Na-2H]- 477.15307 201.7
[M]+ 456.17785 216.6
[M]- 456.17895 216.6
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