CID 159273

Corticosterone-21-hemisuccinate sodium

Structural Information

Molecular Formula
C25H34O7
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)COC(=O)CCC(=O)O)C)O
InChI
InChI=1S/C25H34O7/c1-24-10-9-15(26)11-14(24)3-4-16-17-5-6-18(25(17,2)12-19(27)23(16)24)20(28)13-32-22(31)8-7-21(29)30/h11,16-19,23,27H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,23+,24-,25-/m0/s1
InChIKey
KEECMXYFGNWLEA-BIGDRKAKSA-N
Compound name
4-[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

446.23044 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23772 205.4
[M+Na]+ 469.21966 209.7
[M+NH4]+ 464.26426 212.7
[M+K]+ 485.19360 204.4
[M-H]- 445.22316 203.3
[M+Na-2H]- 467.20511 203.0
[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

patents stripe