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 196.3
[M+Na]+ 417.22475 204.2
[M+NH4]+ 412.26935 199.8
[M+K]+ 433.19869 199.9
[M-H]- 393.22825 194.8
[M+Na-2H]- 415.21020 197.0
[M]+ 394.23498 196.6
[M]- 394.23608 196.6
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