CID 20351105

72498-89-6

Structural Information

Molecular Formula
C25H29FO7
SMILES
CC(=O)OCC(=O)C1(CCC2C1(CC3C4(C2CC(C5=CC(=O)C=CC54C)F)O3)C)OC(=O)C
InChI
InChI=1S/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3
InChIKey
LNYMKQGFLVFMOI-UHFFFAOYSA-N
Compound name
[2-(14-acetyloxy-8-fluoro-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl)-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

460.18973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.19701 208.1
[M+Na]+ 483.17895 216.4
[M+NH4]+ 478.22355 219.2
[M+K]+ 499.15289 208.5
[M-H]- 459.18245 215.3
[M+Na-2H]- 481.16440 212.1
[M]+ 460.18918 212.9
[M]- 460.19028 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.