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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30Cl2O5
Molecular Weight 469.398
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9?,11?-Dichloro-21-hydroxy-16?,17?-(isopropylidenedioxy)-1,4-pregnadiene-3,20-dione

SMILES

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChI

InChIKey=MKOFBYZTCJXGFQ-JNQJZLCISA-N
InChI=1S/C24H30Cl2O5/c1-20(2)30-19-10-16-15-6-5-13-9-14(28)7-8-21(13,3)23(15,26)17(25)11-22(16,4)24(19,31-20)18(29)12-27/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30Cl2O5
Molecular Weight 469.398
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:45:15 GMT 2025
Edited
by admin
on Mon Mar 31 17:45:15 GMT 2025
Record UNII
ZF89EK2FKU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11?,16?)-
Preferred Name English
9?,11?-Dichloro-21-hydroxy-16?,17?-(isopropylidenedioxy)-1,4-pregnadiene-3,20-dione
Systematic Name English
Pregna-1,4-diene-3,20-dione, 9,11?-dichloro-16?,17,21-trihydroxy-, cyclic 16,17-acetal with acetone
Systematic Name English
Dichloro-21-hydroxy-16?,17?-(isopropylidenedioxy)-1,4-pregnadiene-3,20-dione, 9?,11?-
Systematic Name English
Code System Code Type Description
CAS
3744-50-1
Created by admin on Mon Mar 31 17:45:15 GMT 2025 , Edited by admin on Mon Mar 31 17:45:15 GMT 2025
PRIMARY
FDA UNII
ZF89EK2FKU
Created by admin on Mon Mar 31 17:45:15 GMT 2025 , Edited by admin on Mon Mar 31 17:45:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID60190890
Created by admin on Mon Mar 31 17:45:15 GMT 2025 , Edited by admin on Mon Mar 31 17:45:15 GMT 2025
PRIMARY
PUBCHEM
71300357
Created by admin on Mon Mar 31 17:45:15 GMT 2025 , Edited by admin on Mon Mar 31 17:45:15 GMT 2025
PRIMARY