CID 102409

Testosterone butyrate

Structural Information

Molecular Formula
C23H34O3
SMILES
CCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C23H34O3/c1-4-5-21(25)26-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3/t17-,18-,19-,20-,22-,23-/m0/s1
InChIKey
OMPTUWYLCDEFSJ-WAUHAFJUSA-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] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

358.2508 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.25808 191.6
[M+Na]+ 381.24002 199.8
[M+NH4]+ 376.28462 203.1
[M+K]+ 397.21396 190.2
[M-H]- 357.24352 193.5
[M+Na-2H]- 379.22547 192.8
[M]+ 358.25025 193.4
[M]- 358.25135 193.4
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