CID 5317587

[6]-gingerdiol 3,5-diacetate

Structural Information

Molecular Formula
C21H32O6
SMILES
CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3
InChIKey
PXBFKEHWQRAQQD-UHFFFAOYSA-N
Compound name
[3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

380.21988 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22716 194.3
[M+Na]+ 403.20910 197.1
[M-H]- 379.21260 195.1
[M+NH4]+ 398.25370 205.3
[M+K]+ 419.18304 195.9
[M+H-H2O]+ 363.21714 186.5
[M+HCOO]- 425.21808 211.0
[M+CH3COO]- 439.23373 219.7
[M+Na-2H]- 401.19455 189.6
[M]+ 380.21933 202.0
[M]- 380.22043 202.0
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