CID 122360818

Androstanolone valerate

Structural Information

Molecular Formula
C24H38O3
SMILES
CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
InChI
InChI=1S/C24H38O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h16,18-21H,4-15H2,1-3H3/t16-,18-,19-,20-,21-,23-,24-/m0/s1
InChIKey
AGXPLMCKHGTYNP-KXBDTHCRSA-N
Compound name
[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

374.2821 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.28938 197.3
[M+Na]+ 397.27132 204.4
[M+NH4]+ 392.31592 208.6
[M+K]+ 413.24526 194.8
[M-H]- 373.27482 199.0
[M+Na-2H]- 395.25677 197.5
[M]+ 374.28155 198.8
[M]- 374.28265 198.8
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