Structure Database (LMSD)

Common Name
alpha-androstenol
Systematic Name
androst-16-en-3α-ol
Synonyms
LM ID
LMST02020008
Formula
C19H30O
Exact Mass
Calculate m/z
274.229665
Sum Composition
ST 19:1;O
Status
Curated
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)
KRVXMNNRSSQZJP-PHFHYRSDSA-N
InChi (Click to copy)
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C=CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@H](O)C1

Other Databases

Wikipedia
Androstenol
HMDB ID
HMDB0005935
CHEBI ID
40933
LIPIDBANK ID
SST0029
PubChem CID
101989
Cayman ID
33457
PDB ID
ATE
GuidePharm ID
2761

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 293.97
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.84
Molar Refractivity 82.77

Admin

Created at
-
Updated at
9th Jun 2022