CID 156373480

[8]-gingerdiol

Structural Information

Molecular Formula
C23H36O6
SMILES
CCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C23H36O6/c1-5-6-7-8-9-10-20(28-17(2)24)16-21(29-18(3)25)13-11-19-12-14-22(26)23(15-19)27-4/h12,14-15,20-21,26H,5-11,13,16H2,1-4H3
InChIKey
BUACOWOGXVQEBF-UHFFFAOYSA-N
Compound name
[3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

408.2512 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.25848 203.4
[M+Na]+ 431.24042 205.4
[M-H]- 407.24392 203.9
[M+NH4]+ 426.28502 213.3
[M+K]+ 447.21436 203.8
[M+H-H2O]+ 391.24846 195.3
[M+HCOO]- 453.24940 219.4
[M+CH3COO]- 467.26505 225.5
[M+Na-2H]- 429.22587 197.8
[M]+ 408.25065 211.9
[M]- 408.25175 211.9
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