Structure Database (LMSD)

H H O OH HO F
Common Name
Fluoxymesterone
Systematic Name
9α-fluoro-11β,17β-dihydroxy-17-methylandrost-4-en-3-one
Synonyms
LM ID
LMST02020025
Formula
C20H29O3F
Exact Mass
Calculate m/z
336.210073
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)
YLRFCQOZQXIBAB-RBZZARIASA-N
InChi (Click to copy)
InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3(F)[C@@H](O)C[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Synthesis of potent oral anabolic-androgenic steroids,
J Am Chem Soc, 1956

Other Databases

Wikipedia
Fluoxymesterone
HMDB ID
HMDB0015316
CHEBI ID
5120
LIPIDBANK ID
SST0224
PubChem CID
6446
Cayman ID
24082
GuidePharm ID
2861

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 332.28
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.19
Molar Refractivity 90.61

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Created at
-
Updated at
19th Jul 2021