CID 252380

Methylstenbolone

Structural Information

Molecular Formula
C21H32O2
SMILES
CC1=C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)CC1=O)C
InChI
InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h12,14-17,23H,5-11H2,1-4H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey
TVTSDURKYARCML-IYRCEVNGSA-N
Compound name
(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

316.24023 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 179.5
[M+Na]+ 339.22945 188.8
[M+NH4]+ 334.27405 193.5
[M+K]+ 355.20339 177.5
[M-H]- 315.23295 182.1
[M+Na-2H]- 337.21490 183.0
[M]+ 316.23968 182.0
[M]- 316.24078 182.0
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