Structure Database (LMSD)
Common Name
3b,16a-Dihydroxyandrostenone sulfate
Systematic Name
3b,16a-Dihydroxy-5-androsten-17-one 3-sulfate
Synonyms
LM ID
LMST05020022
Formula
Exact Mass
Calculate m/z
384.160662
Sum Composition
Status
Active
3D model of 3b,16a-Dihydroxyandrostenone sulfate
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
String Representations
InChiKey (Click to copy)
ALBNSVAJDFJRKQ-DNKQKWOHSA-N
InChi (Click to copy)
InChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/t12-,13+,14-,15-,16+,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OS(O)(=O)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@H](O)C[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
353.79
Topological Polar Surface Area
100.90
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
4.50
Molar Refractivity
95.45
Admin
Created at
-
Updated at
9th Mar 2023