Structure Database (LMSD)

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

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

References

Taxonomy Information

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

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

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

Admin

Created at
-
Updated at
19th Jul 2021