CID 5318274

Diacetoxy-4-gingerdiol

Structural Information

Molecular Formula
C19H28O6
SMILES
CCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3
InChIKey
AUBPDZJRJKZQEX-UHFFFAOYSA-N
Compound name
[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

352.1886 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19588 185.0
[M+Na]+ 375.17782 188.7
[M-H]- 351.18132 186.3
[M+NH4]+ 370.22242 197.2
[M+K]+ 391.15176 188.0
[M+H-H2O]+ 335.18586 177.6
[M+HCOO]- 397.18680 202.4
[M+CH3COO]- 411.20245 213.8
[M+Na-2H]- 373.16327 181.4
[M]+ 352.18805 192.0
[M]- 352.18915 192.0
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