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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O5
Molecular Weight 398.492
Optical Activity ( + )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGNA-4,9(11)-DIENE-21,17-CARBOLACTONE

SMILES

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13

InChI

InChIKey=GWEKWJOSBYDYDP-DPOGTSLVSA-N
InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/t16-,18+,20-,22+,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H30O5
Molecular Weight 398.492
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:10:10 GMT 2025
Edited
by admin
on Wed Apr 02 11:10:10 GMT 2025
Record UNII
J8799R5TMR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGNA-4,9(11)-DIENE-21,17-CARBOLACTONE
Systematic Name English
EPLERENONE IMPURITY C [EP IMPURITY]
Preferred Name English
PREGNA-4,9(11)-DIENE-7,21-DICARBOXYLIC ACID, 17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, 7-METHYL ESTER, (7.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10272193
Created by admin on Wed Apr 02 11:10:10 GMT 2025 , Edited by admin on Wed Apr 02 11:10:10 GMT 2025
PRIMARY
FDA UNII
J8799R5TMR
Created by admin on Wed Apr 02 11:10:10 GMT 2025 , Edited by admin on Wed Apr 02 11:10:10 GMT 2025
PRIMARY
EPA CompTox
DTXSID10914846
Created by admin on Wed Apr 02 11:10:10 GMT 2025 , Edited by admin on Wed Apr 02 11:10:10 GMT 2025
PRIMARY
CAS
95716-70-4
Created by admin on Wed Apr 02 11:10:10 GMT 2025 , Edited by admin on Wed Apr 02 11:10:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP