CID 102043168

Chembl4645286

Structural Information

Molecular Formula
C20H32O4S
SMILES
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)C
InChI
InChI=1S/C20H32O4S/c1-19-10-8-14(24-25(3,22)23)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h13-17H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-/m0/s1
InChIKey
VTSXFSYSSRLCLG-WSVRAQSBSA-N
Compound name
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.20212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20940 186.5
[M+Na]+ 391.19134 193.1
[M+NH4]+ 386.23594 197.7
[M+K]+ 407.16528 183.6
[M-H]- 367.19484 187.0
[M+Na-2H]- 389.17679 188.0
[M]+ 368.20157 188.2
[M]- 368.20267 188.2
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.