Structure Database (LMSD)

Common Name
4-Androstenediol
Systematic Name
Synonyms
LM ID
LMST02020105
Formula
C19H30O2
Exact Mass
Calculate m/z
290.22458
Sum Composition
ST 19:1;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)
BTTWKVFKBPAFDK-LOVVWNRFSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/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/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]

Other Databases

Wikipedia
4-Androstenediol
KEGG ID
C14210
HMDB ID
HMDB0005849
CHEBI ID
34386
PubChem CID
136297
Cayman ID
34161

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.76
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 84.74

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Created at
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Updated at
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