11,17,21-Trihydroxypregna-1,4-diene-3,20-dione

HCID 4894

Basic information

Standard SMILES
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
InChIKey
OIGNJSKKLXVSLS-UHFFFAOYSA-N
Molecular formula
C21H28O5
Average molar mass
360.4 g/mol

Overview

11,17,21-Trihydroxypregna-1,4-diene-3,20-dione is a 21-hydroxy steroid.

Names & identifiers

Preferred name
11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
IUPAC
11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Names & synonyms

11,17,21-Trihydroxypregna-1,4-diene-3,20-dioneMLS002638110307518-72-511,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one1-Dehydrocortisolorb1308182orb3025178SCHEMBL4449434CHEMBL1735158pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-CHEBI:181020
Show more names
HMS2232P15HMS3371N11HMS5079J20ALBB-025807BBL005698EBC-68024s1737STK177313

Database identifiers

PubChem CID
4894
ChEMBL
CHEMBL1735158
ChEBI
CHEBI:181020

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
94.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
26

Experimental & physicochemical properties

DrugsPharmaceuticals
LogP1.58

Related reactions

3 records

Linked notes

Loading…