Structure Database (LMSD)

Common Name
Methandriol
Systematic Name
17α-methyl-5-androstene-3β,17β-diol
Synonyms
LM ID
LMST02020012
Status
Active
Exact Mass
Calculate m/z
304.24023
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
KEGG ID
CHEBI ID
LIPIDBANK ID
SST0085
PubChem CID

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

Admin

Created at
-
Updated at
3rd Nov 2022