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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O5
Molecular Weight 362.4599
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,20,21-TRIHYDROXYPREGN-4-ENE-3,11-DIONE, (20R)-

SMILES

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

InChI

InChIKey=XBIDABJJGYNJTK-GNIMZFFESA-N
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,17-18,22,25-26H,3-8,10-11H2,1-2H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17,20,21-TRIHYDROXYPREGN-4-ENE-3,11-DIONE, (20R)-
Systematic Name English
20.BETA.-HYDROXYCORTISONE
Common Name English
PREGN-4-EN-3,11-DIONE, 17,20,21-TRIHYDROXY-, (20R)-
Systematic Name English
20.BETA.-DIHYDROCORTISONE
Common Name English
4-PREGNENE-17.ALPHA.,20.BETA.,21-TRIOL-3,11-DIONE
MI  
Common Name English
REICHSTEIN'S SUBSTANCE U
Common Name English
4-PREGNENE-17.ALPHA.,20.BETA.,21-TRIOL-3,11-DIONE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50538489
Created by admin on Sat Dec 16 08:25:29 GMT 2023 , Edited by admin on Sat Dec 16 08:25:29 GMT 2023
PRIMARY
PUBCHEM
13367714
Created by admin on Sat Dec 16 08:25:29 GMT 2023 , Edited by admin on Sat Dec 16 08:25:29 GMT 2023
PRIMARY
CAS
116-59-6
Created by admin on Sat Dec 16 08:25:29 GMT 2023 , Edited by admin on Sat Dec 16 08:25:29 GMT 2023
PRIMARY
FDA UNII
T35G4D30OP
Created by admin on Sat Dec 16 08:25:29 GMT 2023 , Edited by admin on Sat Dec 16 08:25:29 GMT 2023
PRIMARY
MERCK INDEX
m9119
Created by admin on Sat Dec 16 08:25:29 GMT 2023 , Edited by admin on Sat Dec 16 08:25:29 GMT 2023
PRIMARY Merck Index