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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O7
Molecular Weight 432.5067
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,6-DIHYDROXYEPLERENONE, (3.BETA.,6.BETA.)-

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@@H]([C@@H](O)C6=C[C@@H](O)CC[C@]6(C)[C@@]15O2)C(=O)OC

InChI

InChIKey=UBHVSGLCUWAPDA-PFXZPOOYSA-N
InChI=1S/C24H32O7/c1-21-7-4-12(25)10-14(21)19(27)17(20(28)29-3)18-13-5-8-23(9-6-16(26)31-23)22(13,2)11-15-24(18,21)30-15/h10,12-13,15,17-19,25,27H,4-9,11H2,1-3H3/t12-,13-,15+,17-,18+,19-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3,6-DIHYDROXYEPLERENONE, (3.BETA.,6.BETA.)-
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-3,6-DIHYDROXY-, .GAMMA.-LACTONE, METHYL ESTER, (3.BETA.,6.BETA.,7.ALPHA.,11.ALPHA.,17.ALPHA.)-
Systematic Name English
(3.BETA.,6.BETA.)-DIHYDROXYEPLERENONE
Common Name English
(3.BETA.,6.BETA.)-HYDROXYEPLERENONE
Common Name English
Code System Code Type Description
CAS
674781-19-2
Created by admin on Sat Dec 16 18:31:35 GMT 2023 , Edited by admin on Sat Dec 16 18:31:35 GMT 2023
PRIMARY
PUBCHEM
156028034
Created by admin on Sat Dec 16 18:31:35 GMT 2023 , Edited by admin on Sat Dec 16 18:31:35 GMT 2023
PRIMARY
FDA UNII
R5BAK5C5F2
Created by admin on Sat Dec 16 18:31:35 GMT 2023 , Edited by admin on Sat Dec 16 18:31:35 GMT 2023
PRIMARY