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 191.2
[M+Na]+ 395.25567 198.1
[M-H]- 371.25917 194.3
[M+NH4]+ 390.30027 216.9
[M+K]+ 411.22961 192.2
[M+H-H2O]+ 355.26371 185.4
[M+HCOO]- 417.26465 198.3
[M+CH3COO]- 431.28030 218.1
[M+Na-2H]- 393.24112 192.5
[M]+ 372.26590 187.4
[M]- 372.26700 187.4
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.