Structure Database (LMSD)

Systematic Name
5a-Androstan-3b-ol
Synonyms
LM ID
LMST02020095
Formula
C19H32O
Exact Mass
Calculate m/z
276.245315
Sum Composition
ST 19:0;O
Status
Active
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]

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]

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