Structure Database (LMSD)

Systematic Name
3α-hydroxy-5β-androstan-17-one
Synonyms
LM ID
LMST02020059
Status
Active
Exact Mass
Calculate m/z
290.22458
Formula
C19H30O2
Abbrev
ST 19:1;O2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
QGXBDMJGAMFCBF-BNSUEQOYSA-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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O)O

References

Other Databases

Wikipedia
Etiocholanolone
KEGG ID
C04373
HMDB ID
HMDB0000490
CHEBI ID
28195
PubChem CID
5880

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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.25
Molar Refractivity 83.25

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Updated at
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