Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02030118
Common NameMegestrol acetate (W)
Systematic Name17α-hydroxy-6-methylpregna-4,6-diene-3,20-dione acetate
Synonyms-
Exact Mass
384.2301 (neutral)    Calculate m/z:
FormulaC24H32O4
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID11683
KEGG IDC08151
CAYMAN ID21749
InChIKeyRQZAXGRLVPAYTJ-GQFGMJRRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11
-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1
/s1
SMILES[C@]1(C(=O)C)(OC(=O)C)CC[C@@]2([H])[C@]3([H])C=C(C4=CC(CC[C@]4(C)[C@@]3([H])CC[C
@]12C)=O)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
396.28Topological Polar
Surface Area
60.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP4.86Molar
Refractivity
106.92