Structure Database (LMSD)

H H H H HO HO HO O
Common Name
5alpha-Tetrahydrocorticosterone
Systematic Name
3α,11β,21-Trihydroxy-5α-pregnan-20-one
Synonyms
  • Allotetrahydrocorticosterone
LM ID
LMST02030142
Formula
C21H34O4
Exact Mass
Calculate m/z
350.24571
Sum Composition
ST 21:1;O4
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)
RHQQHZQUAMFINJ-NZTKVECHSA-N
InChi (Click to copy)
InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13+,14-,15-,16+,17-,19+,20-,21-/m0/s1
SMILES (Click to copy)
[C@H]1(O)C[C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)CO)CC3)CC2

References

Other Databases

HMDB ID
HMDB0000449
CHEBI ID
89328
PubChem CID
101790
GuidePharm ID
13001

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 354.94
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 3.40
Molar Refractivity 96.22

Reactions

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Reactions graph legend

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Created at
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Updated at
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