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

209
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 190.6
[M+Na]+ 399.17782 194.5
[M-H]- 375.18132 191.5
[M+NH4]+ 394.22242 199.7
[M+K]+ 415.15176 191.0
[M+H-H2O]+ 359.18586 182.5
[M+HCOO]- 421.18680 205.5
[M+CH3COO]- 435.20245 212.6
[M+Na-2H]- 397.16327 188.0
[M]+ 376.18805 193.6
[M]- 376.18915 193.6
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

No patent data available for this compound.