CID 157009850

Acetoxy-[10]-gingerol

Structural Information

Molecular Formula
C24H38O4
SMILES
CCCCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)C)OC)OC(=O)C
InChI
InChI=1S/C24H38O4/c1-5-6-7-8-9-10-11-12-23(28-20(3)25)18-22(26)16-15-21-14-13-19(2)24(17-21)27-4/h13-14,17,23H,5-12,15-16,18H2,1-4H3/t23-/m0/s1
InChIKey
KRNPXTSKQYTSGR-QHCPKHFHSA-N
Compound name
[(5S)-1-(3-methoxy-4-methylphenyl)-3-oxotetradecan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.277 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 200.5
[M+Na]+ 413.26622 209.3
[M+NH4]+ 408.31082 205.0
[M+K]+ 429.24016 202.5
[M-H]- 389.26972 200.2
[M+Na-2H]- 411.25167 201.9
[M]+ 390.27645 201.4
[M]- 390.27755 201.4
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.