CID 5318039

Hexahydrocurcumin

Structural Information

Molecular Formula
C21H26O6
SMILES
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC(=C(C=C2)O)OC)O)O
InChI
InChI=1S/C21H26O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16,22,24-25H,3-4,7-8,13H2,1-2H3
InChIKey
RSAHICAPUYTWHW-UHFFFAOYSA-N
Compound name
5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

729
Patents

374.17294 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 189.1
[M+Na]+ 397.16216 193.8
[M-H]- 373.16566 191.5
[M+NH4]+ 392.20676 198.9
[M+K]+ 413.13610 190.4
[M+H-H2O]+ 357.17020 180.8
[M+HCOO]- 419.17114 205.8
[M+CH3COO]- 433.18679 214.0
[M+Na-2H]- 395.14761 187.0
[M]+ 374.17239 193.2
[M]- 374.17349 193.2
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

patents stripe