Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02030091
Common Name18-Hydroxycorticosterone (W)
Systematic Name11β,18,21-trihydroxy-pregn-4-ene-3,20-dione
Synonyms-
Exact Mass
362.2093 (neutral)    Calculate m/z:
FormulaC21H30O5
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID11222
KEGG IDC01124
HMDB IDHMDB0000319
CHEBI ID16485
InChIKeyHFSXHZZDNDGLQN-ZVIOFETBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-
23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20
-,21+/m0/s1
SMILES[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2
C(CO)=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings4Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
358.45Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP2.50Molar
Refractivity
96.59