Structure Database (LMSD)

Common Name
20alpha-Dihydrocortisone
Systematic Name
4-pregnene-17α,20α,21-triol-3,11-dione
Synonyms
  • Reichstein's substance U
LM ID
LMST02030265
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

Classification

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

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
20-Dihydroisomers of cortisol and cortisone in human urine: excretion rates under different physiological conditions.,
J Clin Chem Clin Biochem, 1987
Pubmed ID: 3625132

String Representations

InChiKey (Click to copy)
XBIDABJJGYNJTK-VDUMFTQRSA-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/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17-,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
C1CC(=O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@](O)([C@H](CO)O)[C@@]4(C)CC(=O)[C@]3([H])[C@@]12C

Other Databases

PubChem CID
151132

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings
Rotatable Bonds 2
Van der Waals Molecular Volume 358.45
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.64
Molar Refractivity 96.66

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Created at
10th Aug 2022
Updated at
10th Aug 2022