Structure Database (LMSD)

Common Name
Formyldienolone
Systematic Name
11α,17β-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxaldehyde
Synonyms
  • Formebolone
LM ID
LMST02020026
Formula
C21H28O4
Exact Mass
Calculate m/z
344.19876
Sum Composition
ST 21:4;O4
Status
Curated
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)
Metabolic studies with formebolone (2-formyl-17 (alpha)-methyl-androsta-1,4-diene-11 (alpha), 17 (beta)-diol-3-one) in humans.,
J Int Med Res, 1976
Pubmed ID: 799985

String Representations

InChiKey (Click to copy)
AMVODTGMYSRMNP-GNIMZFFESA-N
InChi (Click to copy)
InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C=1C=O

Other Databases

Wikipedia
Formebolone
CHEBI ID
135456
LIPIDBANK ID
SST0229
PubChem CID
17150

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 347.02
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 3.16
Molar Refractivity 94.66

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Created at
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Updated at
11th Mar 2021