Structure Database (LMSD)
Common Name
Tetrahydrocorticosterone
Systematic Name
3α,11β,21-5α-trihydroxy-pregnane-20-one
Synonyms
LM ID
LMST02030100
Formula
Exact Mass
Calculate m/z
350.24571
Sum Composition
Status
Active
3D model of 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-DTDWNVJFSA-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+/m1/s1
SMILES (Click to copy)
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CC[C@]1([H])C[C@@H](CC[C@]21C)O)C(=O)CO
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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