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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O4
Molecular Weight 340.4129
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGNA-4,17(20)-DIEN-21-OICACID,16.BETA.-HYDROXY-3,11-DIOXO-,.GAMMA.-LACTONE

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H]5OC(=O)C=C25

InChI

InChIKey=RBULKOMEEZXUGR-BIOQOPCMSA-N
InChI=1S/C21H24O4/c1-20-6-5-12(22)7-11(20)3-4-13-14-8-17-15(9-18(24)25-17)21(14,2)10-16(23)19(13)20/h7,9,13-14,17,19H,3-6,8,10H2,1-2H3/t13-,14-,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-88535
Preferred Name English
PREGNA-4,17(20)-DIEN-21-OICACID,16.BETA.-HYDROXY-3,11-DIOXO-,.GAMMA.-LACTONE
Common Name English
PREGNA-4,17(20)-DIEN-21-OIC ACID, 16-HYDROXY-3,11-DIOXO-, .GAMMA.-LACTONE, (16.BETA.)-
Systematic Name English
PREGNA-4,17(20)-DIEN-21-OIC ACID, 16.BETA.-HYDROXY-3,11-DIOXO-, .GAMMA.-LACTONE
Systematic Name English
Code System Code Type Description
CAS
337-68-8
Created by admin on Mon Mar 31 22:01:47 GMT 2025 , Edited by admin on Mon Mar 31 22:01:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID60955320
Created by admin on Mon Mar 31 22:01:47 GMT 2025 , Edited by admin on Mon Mar 31 22:01:47 GMT 2025
PRIMARY
PUBCHEM
259039
Created by admin on Mon Mar 31 22:01:47 GMT 2025 , Edited by admin on Mon Mar 31 22:01:47 GMT 2025
PRIMARY
NSC
88535
Created by admin on Mon Mar 31 22:01:47 GMT 2025 , Edited by admin on Mon Mar 31 22:01:47 GMT 2025
PRIMARY
FDA UNII
7N156ROQ1C
Created by admin on Mon Mar 31 22:01:47 GMT 2025 , Edited by admin on Mon Mar 31 22:01:47 GMT 2025
PRIMARY