Structure Database (LMSD)
Common Name
11beta-Hydroxyisoandrosterone
Systematic Name
3β,11β-dihydroxy-androstan-17-one
Synonyms
LM ID
LMST02020004
Formula
Exact Mass
Calculate m/z
306.219495
Sum Composition
Status
Curated
3D model of 11beta-Hydroxyisoandrosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
Other Databases
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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