Structure Database (LMSD)
Common Name
3a,17a-Dihydroxy-5b-androstane
Systematic Name
Synonyms
LM ID
LMST02020093
Formula
Exact Mass
Calculate m/z
292.24023
Sum Composition
Status
Active
3D model of 3a,17a-Dihydroxy-5b-androstane
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)
CBMYJHIOYJEBSB-ULTMTAQRSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17-,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](O)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
305.40
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
4.32
Molar Refractivity
84.76
Admin
Created at
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Updated at
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