Structure Database (LMSD)

Common Name
Tetrahydrocorticosterone
Systematic Name
3α,11β,21-5α-trihydroxy-pregnane-20-one
Synonyms
LM ID
LMST02030100
Status
Active
Exact Mass
Calculate m/z
350.24571
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID

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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