Structure Database (LMSD)

Common Name
5beta-androstane-3alpha,17beta-diol
Systematic Name
5β-androstane-3α,17β-diol
Synonyms
  • (3alpha,5beta,17beta)-androstane-3,17-diol
  • 3alpha,17beta-dihydroxyetiocholane
LM ID
LMST02020077
Status
Active
Exact Mass
Calculate m/z
292.24023
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)
CBMYJHIOYJEBSB-GCXXXECGSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+,18+,19+/m1/s1
SMILES (Click to copy)
C1C[C@@H](O)C[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@H](O)CC[C@]13[H]

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 305.40
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.32
Molar Refractivity 84.76

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Created at
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Updated at
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