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
Main
Classification
Category
Main Class
Sub Class
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
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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Created at
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Updated at
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