Structure Database (LMSD)

Systematic Name
androst-5-en-3β,16α-diol
Synonyms
LM ID
LMST02020006
Status
Active
Exact Mass
Calculate m/z
290.22458
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)
CVCDJRPXEWJAAY-UVSUZTNJSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h3,13-17,20-21H,4-11H2,1-2H3/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[C@H](O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

References

Other Databases

KEGG ID
CHEBI ID
LIPIDBANK ID
SST0027
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 302.76
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 84.74

Admin

Created at
-
Updated at
-