Structure Database (LMSD)
Common Name
3alpha-androstanediol
Systematic Name
androstan-3α,17β-diol
Synonyms
LM ID
LMST02020052
Formula
Exact Mass
Calculate m/z
292.24023
Sum Composition
Status
Active
3D model of 3alpha-androstanediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CBMYJHIOYJEBSB-KHOSGYARSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])[H]
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
305.40
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
4.32
Molar Refractivity
84.76
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Created at
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Updated at
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