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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H30O6
Molecular Weight 414.4914
Optical Activity ( + )
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11.ALPHA.,12.ALPHA.-EPOXY-7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21,17-CARBOLACTONE

SMILES

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3[C@@H]4O[C@@H]4[C@@]5(C)[C@@H](CC[C@@]56CCC(=O)O6)[C@H]13

InChI

InChIKey=QBIRIYASLUPKQB-KPHSNMAVSA-N
InChI=1S/C24H30O6/c1-22-7-4-13(25)10-12(22)11-14(21(27)28-3)17-15-5-8-24(9-6-16(26)30-24)23(15,2)20-19(29-20)18(17)22/h10,14-15,17-20H,4-9,11H2,1-3H3/t14-,15+,17+,18-,19+,20+,22+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H30O6
Molecular Weight 414.4914
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:18:37 GMT 2025
Edited
by admin
on Wed Apr 02 12:18:37 GMT 2025
Record UNII
J3826B2RSY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPLERENONE IMPURITY B [EP IMPURITY]
Preferred Name English
11.ALPHA.,12.ALPHA.-EPOXY-7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21,17-CARBOLACTONE
Systematic Name English
PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 11,12-EPOXY-17-HYDROXY-3-OXO-, 21,17-LACTONE, 7-METHYL ESTER, (7.ALPHA.,11.ALPHA.,12.ALPHA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
J3826B2RSY
Created by admin on Wed Apr 02 12:18:37 GMT 2025 , Edited by admin on Wed Apr 02 12:18:37 GMT 2025
PRIMARY
CAS
192704-82-8
Created by admin on Wed Apr 02 12:18:37 GMT 2025 , Edited by admin on Wed Apr 02 12:18:37 GMT 2025
PRIMARY
PUBCHEM
156028061
Created by admin on Wed Apr 02 12:18:37 GMT 2025 , Edited by admin on Wed Apr 02 12:18:37 GMT 2025
PRIMARY
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EP