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
C21H34O4
Abbrev
ST 21:1;O4
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MDLMOL SDF CSV TSV
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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-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
C05476
HMDB ID
HMDB00268
CHEBI ID
9481
PubChem CID
65553

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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