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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H33BrO5S
Molecular Weight 549.517
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-DEOXYCORTICOSTERONE, P-BROMOBENZENESULFONATE

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)C5=CC=C(Br)C=C5

InChI

InChIKey=ZQNARVKYKGBJES-YNHSGCSHSA-N
InChI=1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22-,23-,24+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H33BrO5S
Molecular Weight 549.517
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:33:53 GMT 2025
Edited
by admin
on Wed Apr 02 10:33:53 GMT 2025
Record UNII
J6CZ92K8RU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-DEOXYCORTICOSTERONE, P-BROMOBENZENESULFONATE
Common Name English
NSC-88915
Preferred Name English
4-PREGNEN-21-OL-3,20-DIONE 21-(4-BROMOBENZENESULFONATE)
Common Name English
21-(((4-BROMOPHENYL)SULFONYL)OXY)PREGN-4-ENE-3,20-DIONE
Systematic Name English
3,20-DIOXOPREGN-4-EN-21-YL 4-BROMOBENZENESULFONATE
Common Name English
PREGN-4-ENE-3,20-DIONE, 21-(((4-BROMOPHENYL)SULFONYL)OXY)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40943503
Created by admin on Wed Apr 02 10:33:53 GMT 2025 , Edited by admin on Wed Apr 02 10:33:53 GMT 2025
PRIMARY
PUBCHEM
259210
Created by admin on Wed Apr 02 10:33:53 GMT 2025 , Edited by admin on Wed Apr 02 10:33:53 GMT 2025
PRIMARY
NSC
88915
Created by admin on Wed Apr 02 10:33:53 GMT 2025 , Edited by admin on Wed Apr 02 10:33:53 GMT 2025
PRIMARY
CAS
21170-34-3
Created by admin on Wed Apr 02 10:33:53 GMT 2025 , Edited by admin on Wed Apr 02 10:33:53 GMT 2025
PRIMARY
FDA UNII
J6CZ92K8RU
Created by admin on Wed Apr 02 10:33:53 GMT 2025 , Edited by admin on Wed Apr 02 10:33:53 GMT 2025
PRIMARY