Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02030126
Common NameHydrocortisone succinate
Systematic Name11β,17α,21-trihydroxypregn-4-ene-3,20-dione 21-succinate
Synonyms-
Exact Mass
462.2254 (neutral)    Calculate m/z:
FormulaC25H34O8
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID16623
KEGG IDC12888
InChIKeyVWQWXZAWFPZJDA-CGVGKPPMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27
)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,
(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
SMILES[C@]12(CC[C@]([C@@]1(C)C[C@H](O)[C@]1([C@]2(CCC2=CC(CC[C@]12C)=O)[H])[H])(O)C(=O
)COC(=O)CCC(O)=O)[H]
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings4Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
448.74Topological Polar
Surface Area
138.20Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
8
 logP3.05Molar
Refractivity
117.40