Structure Database (LMSD)

Common Name
Tetrahydrocortisol
Systematic Name
3α,11β,17,21-tetrahydroxy-5β-pregnan-20-one
Synonyms
  • Urocortisol
  • 5b-Tetrahydrocortisol
LM ID
LMST02030143
Status
Active
Exact Mass
Calculate m/z
366.240625
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)
AODPIQQILQLWGS-GXBDJPPSSA-N
InChi (Click to copy)
InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
SMILES (Click to copy)
C[C@@]12[C@]3([H])[C@]([H])([C@@]4([H])[C@@](C[C@@H]3O)(C)[C@](C(CO)=O)(O)CC4)CC[C@]1([H])C[C@H](O)CC2

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 363.73
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.80
Molar Refractivity 98.19

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Created at
-
Updated at
9th Jun 2022