Structure Database (LMSD)
Common Name
5alpha-Tetrahydrocorticosterone
Systematic Name
3α,11β,21-Trihydroxy-5α-pregnan-20-one
Synonyms
- Allotetrahydrocorticosterone
LM ID
LMST02030142
Formula
Exact Mass
Calculate m/z
350.24571
Sum Composition
Status
Active
3D model of 5alpha-Tetrahydrocorticosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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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
Other Databases
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
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Created at
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Updated at
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