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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	373.273726	191.2
[M+Na]+	395.255668	198.1
[M-H]-	371.259174	194.3
[M+NH4]+	390.300273	216.9
[M+K]+	411.229608	192.2
[M+H-H2O]+	355.263710	185.4
[M+HCOO]-	417.264651	198.3
[M+CH3COO]-	431.280301	218.1
[M+Na-2H]-	393.241116	192.5
[M]+	372.26590142	187.4
[M]-	372.26699858	187.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.