Structure Database (LMSD)

H H H OH HO
Systematic Name
androst-5-en-3β,16α-diol
Synonyms
LM ID
LMST02020006
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

Main

Classification

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

String Representations

InChiKey (Click to copy)
CVCDJRPXEWJAAY-UVSUZTNJSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C[C@H](O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Other Databases

KEGG ID
C14631
CHEBI ID
34452
LIPIDBANK ID
SST0027
PubChem CID
19274

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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