Structure Database (LMSD)

Common Name
19-norandrosterone
Systematic Name
3α-hydroxy-5α-estran-17-one
Synonyms
  • 19-Noreoiandrosterone
  • 19-Noretiocholanolone
LM ID
LMST02010042
Formula
C18H28O2
Exact Mass
Calculate m/z
276.20893
Sum Composition
ST 18:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C18 steroids (estrogens) and derivatives [ST0201]

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

Other Databases

Wikipedia
19-norandrosterone
CHEBI ID
36412
PubChem CID
9548753
Cayman ID
22683

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

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Created at
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Updated at
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