CID 441404

Testosterone cypionate

Structural Information

Molecular Formula
C27H40O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)CC[C@]35C
InChI
InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1
InChIKey
HPFVBGJFAYZEBE-ZLQWOROUSA-N
Compound name
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

182
References

8326
Patents

412.29776 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.30504 207.5
[M+Na]+ 435.28698 213.9
[M+NH4]+ 430.33158 219.1
[M+K]+ 451.26092 205.9
[M-H]- 411.29048 210.8
[M+Na-2H]- 433.27243 208.1
[M]+ 412.29721 209.3
[M]- 412.29831 209.3
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