CID 9929986

Nandrolone cyclohexanecarboxylate

Structural Information

Molecular Formula
C25H36O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4CCCCC4)CCC5=CC(=O)CC[C@H]35
InChI
InChI=1S/C25H36O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h15-16,19-23H,2-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1
InChIKey
AQMOXBCKEKPDRF-YNFNDHOQSA-N
Compound name
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
Patents

384.26645 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.273726 197.2
[M+Na]+ 407.255668 197.2
[M-H]- 383.259174 202.5
[M+NH4]+ 402.300273 214.2
[M+K]+ 423.229608 191.4
[M+H-H2O]+ 367.263710 188.4
[M+HCOO]- 429.264651 202.5
[M+CH3COO]- 443.280301 203.0
[M+Na-2H]- 405.241116 191.9
[M]+ 384.26590142 185.9
[M]- 384.26699858 185.9
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