Structure Database (LMSD)

H H H OH HO
Common Name
Methandriol
Systematic Name
17α-methyl-5-androstene-3β,17β-diol
Synonyms
LM ID
LMST02020012
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Sum Composition
ST 20:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WRWBCPJQPDHXTJ-DTMQFJJTSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@](O)(C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Methylandrostenediol.,
J Clin Endocrinol Metab, 1951
Pubmed ID: 14841252

Other Databases

Wikipedia
Methandriol
KEGG ID
C14493
CHEBI ID
34834
LIPIDBANK ID
SST0085
PubChem CID
229021
Cayman ID
34135

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 320.06
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.63
Molar Refractivity 89.36

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Created at
-
Updated at
3rd Nov 2022