CID 4323132

21-hydroxy-8,9,14-trimethylpregn-4-ene-3,20-dione

Structural Information

Molecular Formula
C24H36O3
SMILES
CC12CCC3(C4(CCC(=O)C=C4CCC3(C1(CCC2C(=O)CO)C)C)C)C
InChI
InChI=1S/C24H36O3/c1-20-9-7-17(26)14-16(20)6-10-24(5)22(3)11-8-18(19(27)15-25)21(22,2)12-13-23(20,24)4/h14,18,25H,6-13,15H2,1-5H3
InChIKey
LVQXUOUMCMUUEH-UHFFFAOYSA-N
Compound name
17-(2-hydroxyacetyl)-8,9,10,13,14-pentamethyl-2,6,7,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.26645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.27373 191.0
[M+Na]+ 395.25567 198.2
[M+NH4]+ 390.30027 205.8
[M+K]+ 411.22961 184.6
[M-H]- 371.25917 192.2
[M+Na-2H]- 393.24112 196.1
[M]+ 372.26590 193.0
[M]- 372.26700 193.0
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

No patent data available for this compound.