Structure Database (LMSD)

Systematic Name
5α-androstane-3,17-dione
Synonyms
  • 5alpha-Androstane-3,17-dione
  • 5alpha-androstane-3,17-dione
  • Androstanedione
LM ID
LMST02020085
Formula
Exact Mass
Calculate m/z
288.20893
Sum Composition
Status
Active


Classification

String Representations

InChiKey (Click to copy)
RAJWOBJTTGJROA-WZNAKSSCSA-N
InChi (Click to copy)
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
SMILES (Click to copy)
C1CC(=O)C[C@]2([H])CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)C(=O)CC[C@]13[H]

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 300.12
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.17
Molar Refractivity 81.74

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Created at
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Updated at
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