Structure Database (LMSD)
Common Name
5alpha-androstan-11beta,17beta-diol-3one
Systematic Name
11β,17β-Dihydroxy-5α-androstan-3-one
Synonyms
- 11beta-hydroxy-Androstanolone
LM ID
LMST02020136
Formula
Exact Mass
Calculate m/z
306.219495
Sum Composition
Status
Active
3D model of 5alpha-androstan-11beta,17beta-diol-3one
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
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
WARJRVLSUJRZKT-QHTZCDKYSA-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/h11,13-17,21-22H,3-10H2,1-2H3/t11-,13-,14-,15-,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C1CC(=O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]12C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
Rotatable Bonds
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
Admin
Created at
21st Mar 2023
Updated at
21st Mar 2023