Structure Database (LMSD)

Common Name
Tetrahydrocortisol
Systematic Name
3α,11β,17,21-tetrahydroxy-5β-pregnan-20-one
Synonyms
  • Urocortisol
  • 5b-Tetrahydrocortisol
LM ID
LMST02030143
Formula
Exact Mass
Calculate m/z
366.240625
Sum Composition
Status
Active

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

Reactions

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Created at
-
Updated at
9th Jun 2022