Structure database (LMSD)

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LM IDLMST02030186
Common Namecorticosterone (W)
Systematic Name11β,21-dihydroxypregn-4-ene-3,20-dione
Synonyms(11β)-11,21-dihydroxypregn-4-ene-3,20-dione; 11β,21-Dihydroxy-4-pregnene-3,
20-dione; 11β,21-dihydroxyprogesterone; 17-deoxycortisol; CORTICOSTERONE;
Corticosterone; Kendall's compound B; Reichstein's substance H; corticosterone
Exact Mass
346.2144 (neutral)    Calculate m/z:
FormulaC21H30O4
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
AbbrevST 21:3;O4
PubChem CID5753
KEGG IDC02140
HMDB IDHMDB0001547
CHEBI ID16827
SWISSLIPIDS IDSLM:000485331
CAYMAN ID16063
InChIKeyOMFXVFTZEKFJBZ-HJTSIMOOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
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SMILES
C1CC2[C@]([C@@]3([H])[C@@H](O)C[C@@]4(C)[C@@]([H])(CC[C@@]4(C(=O)CO)[H])[C@]13[H])(C)CCC(=O)C=2
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
349.66Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.24Molar
Refractivity
94.68