Structure Database (LMSD)

H H H O HO HO H
Common Name
11beta-Hydroxyisoandrosterone
Systematic Name
3β,11β-dihydroxy-androstan-17-one
Synonyms
LM ID
LMST02020004
Formula
C19H30O3
Exact Mass
Calculate m/z
306.219495
Sum Composition
ST 19:1;O3
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)
PIXFHVWJOVNKQK-CZQRWWPKSA-N
InChi (Click to copy)
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

References

Other Databases

CHEBI ID
173049
LIPIDBANK ID
SST0025
PubChem CID
16061357

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 311.55
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.50
Molar Refractivity 85.15

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Created at
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Updated at
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