CID 58701634

Dechloroalclometasone dipropionate

Structural Information

Molecular Formula
C28H38O7
SMILES
CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C)OC(=O)CC
InChI
InChI=1S/C28H38O7/c1-6-23(32)34-15-22(31)28(35-24(33)7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-26(17,4)25(19)21(30)14-27(20,28)5/h10-11,13,16,19-21,25,30H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25-,26+,27+,28+/m1/s1
InChIKey
MOBDTSZFGVHTSP-FSFJKGNNSA-N
Compound name
[2-[(8S,9S,10R,11S,13S,14S,16R,17R)-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

486.26175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.269026 214.5
[M+Na]+ 509.250968 218.7
[M-H]- 485.254474 216.8
[M+NH4]+ 504.295573 231.6
[M+K]+ 525.224908 215.5
[M+H-H2O]+ 469.259010 209.7
[M+HCOO]- 531.259951 220.3
[M+CH3COO]- 545.275601 240.0
[M+Na-2H]- 507.236416 211.4
[M]+ 486.26120142 216.4
[M]- 486.26229858 216.4
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