Structure Database (LMSD)
Common Name
5beta-Dihydrocortisol
Systematic Name
5β-pregnane-11β,17α,21-triol-3,20-dione
Synonyms
LM ID
LMST02030204
Formula
Exact Mass
Calculate m/z
364.224975
Sum Composition
Status
Active
3D model of 5beta-Dihydrocortisol
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
Reactions
Filter by species:
ⓘ
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
String Representations
InChiKey (Click to copy)
ACSFOIGNUQUIGE-AIPUTVCKSA-N
InChi (Click to copy)
InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-16,18,22,24,26H,3-11H2,1-2H3/t12-,14+,15+,16+,18-,19+,20+,21+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@](O)(C(CO)=O)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
361.09
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
2.72
Molar Refractivity
96.68
Admin
Created at
-
Updated at
10th Aug 2022