Structure database (LMSD)

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LM IDLMST02030095
Common Name4,5β-Dihydrocortisone
Systematic Name17,21-dihydroxy-5β-pregnane-3,11,20-trione
Synonyms17α,21-Dihydroxy-5β-pregnane-3,11,20-trione; 4,5β-Dihydrocortisone; 4,5β-
dihydrocortisone; 5-dihydrocortisone; 5β-Pregnane-17α,21-diol-3,11,20-trione
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 CID65554
KEGG IDC05469
HMDB IDHMDB0006758
CHEBI ID18093
SWISSLIPIDS IDSLM:000485684
InChIKeyYCLWEYIBFOLMEM-FNLRALKVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,
2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21
+/m1/s1
SMILES[C@@]12([H])CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@]1([H])[C@@]3(C)CCC(=O)C[C@@]3([
H])CC[C@@]21[H]
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings4Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
358.45Topological Polar
Surface Area
91.67Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP2.64Molar
Refractivity
95.17