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

3
Annotation Hits: 6
References: 209
Patents: 376.1886 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	377.195876	190.6
[M+Na]+	399.177818	194.5
[M-H]-	375.181324	191.5
[M+NH4]+	394.222423	199.7
[M+K]+	415.151758	191.0
[M+H-H2O]+	359.185860	182.5
[M+HCOO]-	421.186801	205.5
[M+CH3COO]-	435.202451	212.6
[M+Na-2H]-	397.163266	188.0
[M]+	376.18805142	193.6
[M]-	376.18914858	193.6

Literature stripe

literature stripe

Patent stripe

patents stripe