Structure Database (LMSD)
Common Name
16-Oxoandrostenediol
Systematic Name
3-β,17-β-hihydroxyandrost-5-en-16-one
Synonyms
LM ID
LMST02020088
Formula
Exact Mass
Calculate m/z
304.203846
Sum Composition
Status
Curated
3D model of 16-Oxoandrostenediol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
PETTENKOFER CHROMOGENS IN THE MATERNAL AND FETAL CIRCULATIONS: ANENCEPHALIC PREGNANCIES, CESAREAN SECTIONS, AND TENTATIVE IDENTIFICATION OF 3-BETA 17-BETA-DIHYDROXYANDROST-5-EN-16-ONE IN UMBILICAL CORD BLOOD.,
Steroids, 1965
Steroids, 1965
Pubmed ID:
14325182
String Representations
InChiKey (Click to copy)
AKRBLZKRYPEVIK-PEMPUTJUSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-15,17,20,22H,4-10H2,1-2H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)C(=O)C[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
308.91
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.42
Molar Refractivity
85.13
Admin
Created at
-
Updated at
16th Dec 2025