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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O7S
Molecular Weight 440.55
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cortisol 21-mesylate

SMILES

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

InChI

InChIKey=AFMXNPUMXZCVGU-CWNVBEKCSA-N
InChI=1S/C22H32O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3/t15-,16-,17-,19+,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11Beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulfonate
Preferred Name English
Cortisol 21-mesylate
Systematic Name English
Cortisol,21-methanesulfonate
Systematic Name English
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate
Systematic Name English
Code System Code Type Description
PUBCHEM
93037
Created by admin on Wed Apr 02 19:15:56 GMT 2025 , Edited by admin on Wed Apr 02 19:15:56 GMT 2025
PRIMARY
FDA UNII
6WCD4PNT44
Created by admin on Wed Apr 02 19:15:56 GMT 2025 , Edited by admin on Wed Apr 02 19:15:56 GMT 2025
PRIMARY
CAS
6677-96-9
Created by admin on Wed Apr 02 19:15:56 GMT 2025 , Edited by admin on Wed Apr 02 19:15:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID20985340
Created by admin on Wed Apr 02 19:15:56 GMT 2025 , Edited by admin on Wed Apr 02 19:15:56 GMT 2025
PRIMARY