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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O5
Molecular Weight 364.4758
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE, (11.BETA.,20R)-

SMILES

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

InChI

InChIKey=AWWCEQOCFFQUKS-LCGKLAOVSA-N
InChI=1S/C21H32O5/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/h9,14-18,22,24-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O5
Molecular Weight 364.4758
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:29 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:29 GMT 2023
Record UNII
77U6C4OLOR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11,17,20,21-TETRAHYDROXYPREGN-4-EN-3-ONE, (11.BETA.,20R)-
Systematic Name English
.DELTA.4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETRAOL-3-ONE
Common Name English
4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETROL-3-ONE
MI  
Common Name English
REICHSTEIN'S SUBSTANCE E
Common Name English
20.BETA.-DIHYDROCORTISOL
Common Name English
4-PREGNENE-11.BETA.,17.ALPHA.,20.BETA.,21-TETROL-3-ONE [MI]
Common Name English
REICHSTEIN'S COMPOUND E
Common Name English
PREGN-4-EN-3-ONE, 11,17,20,21-TETRAHYDROXY-, (11.BETA.,20R)-
Systematic Name English
20.BETA.-HYDROXYCORTISOL
Common Name English
Code System Code Type Description
CAS
116-58-5
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
EPA CompTox
DTXSID40871599
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
77U6C4OLOR
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
12150498
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
m9118
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
CHEBI
139311
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