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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O8
Molecular Weight 446.4902
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,15-DIHYDROXYEPLERENONE, (6.BETA.,15.ALPHA.)-

SMILES

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

InChI

InChIKey=DPLWNGOYPHXJBF-NGXGYWGPSA-N
InChI=1S/C24H30O8/c1-21-6-4-11(25)8-12(21)19(28)16(20(29)30-3)18-17-13(26)9-23(7-5-15(27)32-23)22(17,2)10-14-24(18,21)31-14/h8,13-14,16-19,26,28H,4-7,9-10H2,1-3H3/t13-,14+,16-,17-,18-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H30O8
Molecular Weight 446.4902
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 Sat Dec 16 18:56:58 GMT 2023
Edited
by admin
on Sat Dec 16 18:56:58 GMT 2023
Record UNII
52UY7TQ6QL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,15-DIHYDROXYEPLERENONE, (6.BETA.,15.ALPHA.)-
Common Name English
(6.BETA.,15.ALPHA.)-DIHYDROXYEPLERENONE
Common Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-6,15-DIHYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (6.BETA.,7.ALPHA.,11.ALPHA.,15.ALPHA.,17.ALPHA.)-
Systematic Name English
(6.BETA.,15.ALPHA.)-HYDROXYEPLERENONE
Common Name English
Code System Code Type Description
CAS
674781-20-5
Created by admin on Sat Dec 16 18:56:58 GMT 2023 , Edited by admin on Sat Dec 16 18:56:58 GMT 2023
PRIMARY
FDA UNII
52UY7TQ6QL
Created by admin on Sat Dec 16 18:56:58 GMT 2023 , Edited by admin on Sat Dec 16 18:56:58 GMT 2023
PRIMARY
PUBCHEM
156596459
Created by admin on Sat Dec 16 18:56:58 GMT 2023 , Edited by admin on Sat Dec 16 18:56:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
FECAL; URINE