Structure Database (LMSD)

Common Name
19-norandrosterone
Systematic Name
3α-hydroxy-5α-estran-17-one
Synonyms
  • 19-Noreoiandrosterone
  • 19-Noretiocholanolone
LM ID
LMST02010042
Status
Active
Exact Mass
Calculate m/z
276.20893
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)
UOUIARGWRPHDBX-CQZDKXCPSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1
SMILES (Click to copy)
C1[C@@]2([H])[C@@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CCC2=O)C[C@H](O)C1

References

Other Databases

Wikipedia
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 285.46
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.86
Molar Refractivity 78.64

Admin

Created at
-
Updated at
-