CID 10005640

Fluticasone acetate

Structural Information

Molecular Formula
C24H29F3O5S
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C)C)O)F)C)F
InChI
InChI=1S/C24H29F3O5S/c1-12-7-15-16-9-18(26)17-8-14(29)5-6-21(17,3)23(16,27)19(30)10-22(15,4)24(12,32-13(2)28)20(31)33-11-25/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1
InChIKey
ODNKIHMUIGPTII-OSNGSNEUSA-N
Compound name
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

486.1688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.17608 204.2
[M+Na]+ 509.15802 212.2
[M-H]- 485.16152 203.1
[M+NH4]+ 504.20262 224.3
[M+K]+ 525.13196 207.2
[M+H-H2O]+ 469.16606 198.6
[M+HCOO]- 531.16700 204.2
[M+CH3COO]- 545.18265 235.7
[M+Na-2H]- 507.14347 203.2
[M]+ 486.16825 204.5
[M]- 486.16935 204.5
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

patents stripe