Structure database (LMSD)

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LM IDLMST02020053
Common Name3β-androstanediol
Systematic Nameandrostan-3β,17β-diol
Synonyms-
Exact Mass
292.2402 (neutral)    Calculate m/z:
FormulaC19H32O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
AbbrevST 19:0;O2
PubChem CID242332
KEGG IDC12525
HMDB IDHMDB0000493
CHEBI ID18329
SWISSLIPIDS IDSLM:000399825
InChIKeyCBMYJHIOYJEBSB-YSZCXEEOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[C@]12(CC[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])[H]
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
305.40Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.32Molar
Refractivity
84.76