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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

COC(=O)[C@@H]1[C@@H](O)C2=C[C@@H](O)CC[C@]2(C)[C@@]34O[C@@H]3C[C@@]5(C)[C@@H](CC[C@@]56CCC(=O)O6)[C@H]14

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

Molecular Formula C24H32O7
Molecular Weight 432.5067
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:26:08 GMT 2025
Edited
by admin
on Wed Apr 02 11:26:08 GMT 2025
Record UNII
R5BAK5C5F2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3.BETA.,6.BETA.)-DIHYDROXYEPLERENONE
Preferred Name English
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.)-HYDROXYEPLERENONE
Common Name English
Code System Code Type Description
CAS
674781-19-2
Created by admin on Wed Apr 02 11:26:08 GMT 2025 , Edited by admin on Wed Apr 02 11:26:08 GMT 2025
PRIMARY
PUBCHEM
156028034
Created by admin on Wed Apr 02 11:26:08 GMT 2025 , Edited by admin on Wed Apr 02 11:26:08 GMT 2025
PRIMARY
FDA UNII
R5BAK5C5F2
Created by admin on Wed Apr 02 11:26:08 GMT 2025 , Edited by admin on Wed Apr 02 11:26:08 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL