CID 73242219

17-hydroxy-androstan-1,3-dione

Structural Information

Molecular Formula
C19H28O3
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C(=O)CC(=O)C4)C
InChI
InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h11,13-16,21H,3-10H2,1-2H3/t11-,13-,14-,15-,16-,18-,19-/m0/s1
InChIKey
WIFFAONSZWGQAR-DOXLZLGISA-N
Compound name
(5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.20386 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21114 175.4
[M+Na]+ 327.19308 183.7
[M+NH4]+ 322.23768 187.3
[M+K]+ 343.16702 174.9
[M-H]- 303.19658 177.1
[M+Na-2H]- 325.17853 176.4
[M]+ 304.20331 177.1
[M]- 304.20441 177.1
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

No patent data available for this compound.