CID 24826530

[16]-gingerol

Structural Information

Molecular Formula
C27H46O4
SMILES
CCCCCCCCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
InChI
InChI=1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)22-25(29)19-17-23-18-20-26(30)27(21-23)31-2/h18,20-21,24,28,30H,3-17,19,22H2,1-2H3
InChIKey
PBVYYGQREMPCPL-UHFFFAOYSA-N
Compound name
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)icosan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.3396 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.34688 217.3
[M+Na]+ 457.32882 217.3
[M-H]- 433.33232 215.3
[M+NH4]+ 452.37342 225.6
[M+K]+ 473.30276 212.1
[M+H-H2O]+ 417.33686 208.6
[M+HCOO]- 479.33780 231.7
[M+CH3COO]- 493.35345 231.0
[M+Na-2H]- 455.31427 211.1
[M]+ 434.33905 224.5
[M]- 434.34015 224.5
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

patents stripe