Structure database (LMSD)

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LM IDLMST02020008
Common Nameα-androstenol (W)
Systematic Nameandrost-16-en-3α-ol
Synonyms-
Exact Mass
274.2297 (neutral)    Calculate m/z:
FormulaC19H30O
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0029
PubChem CID101989
HMDB IDHMDB0005935
CHEBI ID40933
InChIKeyKRVXMNNRSSQZJP-PHFHYRSDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18
/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)C=CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@H](O)C1
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
293.97Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.84Molar
Refractivity
82.77