Structure Database (LMSD)

Common Name
4,5alpha-Dihydrocortisone
Systematic Name
17,21-dihydroxy-5α-pregnane-3,11,20-trione
Synonyms
  • 4,5alpha-Dihydrocortisone
LM ID
LMST02030096
Formula
C21H30O5
Exact Mass
Calculate m/z
362.209325
Sum Composition
ST 21:3;O5
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

String Representations

InChiKey (Click to copy)
YCLWEYIBFOLMEM-FZPGBCFJSA-N
InChi (Click to copy)
InChI=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-/m0/s1
SMILES (Click to copy)
[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]

References

Other Databases

KEGG ID
C03588
CHEBI ID
16372
PubChem CID
440054

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 358.45
Topological Polar Surface Area 91.67
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.64
Molar Refractivity 95.17

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Created at
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Updated at
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