CID 90478906

Desonide sodium phosphate

Structural Information

Molecular Formula
C24H33O9P
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COP(=O)(O)O)CCC5=CC(=O)C=C[C@]35C)O
InChI
InChI=1S/C24H33O9P/c1-21(2)32-19-10-16-15-6-5-13-9-14(25)7-8-22(13,3)20(15)17(26)11-23(16,4)24(19,33-21)18(27)12-31-34(28,29)30/h7-9,15-17,19-20,26H,5-6,10-12H2,1-4H3,(H2,28,29,30)/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChIKey
DXRFZKGXFPTXQD-LECWWXJVSA-N
Compound name
[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

496.18622 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.19350 209.7
[M+Na]+ 519.17544 215.4
[M-H]- 495.17894 211.3
[M+NH4]+ 514.22004 227.3
[M+K]+ 535.14938 214.8
[M+H-H2O]+ 479.18348 205.6
[M+HCOO]- 541.18442 216.1
[M+CH3COO]- 555.20007 235.6
[M+Na-2H]- 517.16089 212.0
[M]+ 496.18567 212.2
[M]- 496.18677 212.2
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.