U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O4
Molecular Weight 344.4446
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11.BETA.)-11,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C(=O)CO

InChI

InChIKey=ZFQSDPPADTWKDI-HJTSIMOOSA-N
InChI=1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h7-9,14-17,19,22,24H,3-6,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O4
Molecular Weight 344.4446
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:31 GMT 2023
Record UNII
FY7AZ5TJU4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11.BETA.)-11,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
1-DEHYDROCORTICOSTERONE
Common Name English
17-DEOXYPREDNISOLONE
Common Name English
.DELTA.1-CORTICOSTERONE
Common Name English
11.BETA.,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
PREDNISOLONE IMPURITY I [EP IMPURITY]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 11,21-DIHYDROXY-, (11.BETA.)-
Systematic Name English
1,2-DIDEHYDROCORTICOSTERONE
Common Name English
Code System Code Type Description
CAS
13479-38-4
Created by admin on Sat Dec 16 19:53:31 GMT 2023 , Edited by admin on Sat Dec 16 19:53:31 GMT 2023
PRIMARY
PUBCHEM
10472685
Created by admin on Sat Dec 16 19:53:31 GMT 2023 , Edited by admin on Sat Dec 16 19:53:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID90928764
Created by admin on Sat Dec 16 19:53:31 GMT 2023 , Edited by admin on Sat Dec 16 19:53:31 GMT 2023
PRIMARY
FDA UNII
FY7AZ5TJU4
Created by admin on Sat Dec 16 19:53:31 GMT 2023 , Edited by admin on Sat Dec 16 19:53:31 GMT 2023
PRIMARY
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