Structure Database (LMSD)

Systematic Name
5a-Androstan-3b-ol
Synonyms
LM ID
LMST02020095
Status
Active
Exact Mass
Calculate m/z
276.245315
Formula
C19H32O
Abbrev
ST 19:0;O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
DJTOLSNIKJIDFF-LOVVWNRFSA-N
InChi (Click to copy)
InChI=1S/C19H32O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17,20H,3-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H]

References

Other Databases

HMDB ID
HMDB0005830
CHEBI ID
177437
PubChem CID
92877
Cayman ID
34719

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 296.61
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.07
Molar Refractivity 82.86

Admin

Created at
-
Updated at
9th Jun 2022