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
Main
Classification
Category
Main Class
Sub Class
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
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