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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O6
Molecular Weight 414.4914
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.BETA.-EPLERENONE

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@H](CC6=CC(=O)CC[C@]6(C)[C@@]15O2)C(=O)OC

InChI

InChIKey=JUKPWJGBANNWMW-ASKHZCCRSA-N
InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16-,17+,19-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7.BETA.-EPLERENONE
Common Name English
EPLERENONE IMPURITY E [EP IMPURITY]
Common Name English
METHYL (1R,2S,9S,10R,11S,14R,15S,17R)-2,15-DIMETHYL-5,5'-DIOXOSPIRO(18-OXAPENTACYCLO(8.8.0.01,17.02,7.011,15)OCTADEC-6-ENE-14,2'-OXOLANE)-9-CARBOXYLATE
Systematic Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.BETA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
9,11.ALPHA.-EPOXY-7.BETA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21,17-CARBOLACTONE
Systematic Name English
(7.BETA.,11.ALPHA.,17.ALPHA.)-9,11-EPOXY-17-HYDROXY-3-OXO-PREGN-4-ENE-7,21-DICARBOXYLIC ACID .GAMMA.-LACTONE METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
71777269
Created by admin on Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
PRIMARY
CAS
209253-81-6
Created by admin on Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID60747702
Created by admin on Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
PRIMARY
FDA UNII
Y9GZQ573PG
Created by admin on Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
PRIMARY