Structure Database (LMSD)

Common Name
5alpha-androstane-3beta,17alpha-diol
Systematic Name
5α-androstane-3β,17α-diol
Synonyms
  • 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL
LM ID
LMST02020080
Formula
C19H32O2
Exact Mass
Calculate m/z
292.24023
Sum Composition
ST 19:0;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
CBMYJHIOYJEBSB-MFXFBURESA-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-/m0/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]

Other Databases

CHEBI ID
40836
PubChem CID
446934
PDB ID
AON

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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Updated at
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