CID 5319662

3'-methoxy-[6]-gingerdiol 3,5-diacetate

Structural Information

Molecular Formula
C22H34O6
SMILES
CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H34O6/c1-6-7-8-9-19(27-16(2)23)15-20(28-17(3)24)12-10-18-11-13-21(25-4)22(14-18)26-5/h11,13-14,19-20H,6-10,12,15H2,1-5H3
InChIKey
QCJKXQWAFFZFLJ-UHFFFAOYSA-N
Compound name
[3-acetyloxy-1-(3,4-dimethoxyphenyl)decan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

394.23553 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24281 198.4
[M+Na]+ 417.22475 201.3
[M-H]- 393.22825 200.5
[M+NH4]+ 412.26935 209.6
[M+K]+ 433.19869 200.7
[M+H-H2O]+ 377.23279 190.3
[M+HCOO]- 439.23373 216.3
[M+CH3COO]- 453.24938 224.9
[M+Na-2H]- 415.21020 193.8
[M]+ 394.23498 208.5
[M]- 394.23608 208.5
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