CID 10386732

6alpha-hydroxydexamethasone

Structural Information

Molecular Formula
C22H29FO6
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)CO)O)C)O)F)C)O
InChI
InChI=1S/C22H29FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,16-17,24,26-27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
RVBSTEHLLHXILB-GQKYHHCASA-N
Compound name
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

490
Patents

408.19482 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20210 193.9
[M+Na]+ 431.18404 202.4
[M-H]- 407.18754 193.0
[M+NH4]+ 426.22864 215.0
[M+K]+ 447.15798 196.7
[M+H-H2O]+ 391.19208 190.1
[M+HCOO]- 453.19302 197.9
[M+CH3COO]- 467.20867 219.0
[M+Na-2H]- 429.16949 194.6
[M]+ 408.19427 190.4
[M]- 408.19537 190.4
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

No patent data available for this compound.