Structure Database (LMSD)
Common Name
Bolasterone
Systematic Name
17β-hydroxy-7α,17-dimethylandrost-4-en-3-one
Synonyms
LM ID
LMST02020017
Formula
Exact Mass
Calculate m/z
316.24023
Sum Composition
Status
Active
3D model of Bolasterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IVFYLRMMHVYGJH-VLOLGRDOSA-N
InChi (Click to copy)
InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])[C@H](C)CC2=CC(=O)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
CLINICAL EVALUATION OF A NEW ANABOLIC AGENT 7-ALPHA,17-ALPHA-DIMETHYLTESTOSTERONE (BOLASTERONE).,
Clin Pharmacol Ther, 1963
Clin Pharmacol Ther, 1963
Pubmed ID:
14079251
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
SST0147
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
334.72
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.80
Molar Refractivity
92.39
Admin
Created at
-
Updated at
11th Mar 2021