CID 633586

6-beta-hydroxy budesonide

Structural Information

Molecular Formula
C25H34O7
SMILES
CCCC1OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)O
InChI
InChI=1S/C25H34O7/c1-4-5-21-31-20-10-15-14-9-17(28)16-8-13(27)6-7-23(16,2)22(14)18(29)11-24(15,3)25(20,32-21)19(30)12-26/h6-8,14-15,17-18,20-22,26,28-29H,4-5,9-12H2,1-3H3
InChIKey
JBVVDXJXIDYDMF-UHFFFAOYSA-N
Compound name
11,19-dihydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

34
Patents

446.23044 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23772 203.8
[M+Na]+ 469.21966 209.5
[M+NH4]+ 464.26426 213.5
[M+K]+ 485.19360 204.3
[M-H]- 445.22316 205.1
[M+Na-2H]- 467.20511 201.1
[M]+ 446.22989 205.0
[M]- 446.23099 205.0
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.