Structure Database (LMSD)

Common Name
Calusterone
Systematic Name
17β-hydroxy-7β,17-dimethylandrost-4-en-3-one
Synonyms
LM ID
LMST02020010
Status
Active
Exact Mass
Calculate m/z
316.24023
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
IVFYLRMMHVYGJH-PVPPCFLZSA-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-/m0/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)
The platelet-stimulating effects of 7-beta, 17-alpha-dimethyltestosterone (calusterone).,
Blood, 1972
Pubmed ID: 5078927

Other Databases

Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
SST0035
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