CID 11068834

Octahydrocurcumin

Structural Information

Molecular Formula
C21H28O6
SMILES
COC1=C(C=CC(=C1)CCC(CC(CCC2=CC(=C(C=C2)O)OC)O)O)O
InChI
InChI=1S/C21H28O6/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/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3
InChIKey
OELMAFBLFOKZJD-UHFFFAOYSA-N
Compound name
1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

240
Patents

376.1886 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19588 191.9
[M+Na]+ 399.17782 202.0
[M+NH4]+ 394.22242 196.1
[M+K]+ 415.15176 197.5
[M-H]- 375.18132 192.4
[M+Na-2H]- 397.16327 194.9
[M]+ 376.18805 193.1
[M]- 376.18915 193.1
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