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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

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)[C@H]4O[C@H]4[C@@]5([H])[C@@]2([H])[C@@H](CC6=CC(=O)CC[C@]56C)C(=O)OC

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

Approval Year

Name Type Language
11.ALPHA.,12.ALPHA.-EPOXY-7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21,17-CARBOLACTONE
Systematic Name English
EPLERENONE IMPURITY B [EP IMPURITY]
Common 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 Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
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CAS
192704-82-8
Created by admin on Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
PRIMARY
PUBCHEM
156028061
Created by admin on Sat Dec 16 18:48:07 GMT 2023 , Edited by admin on Sat Dec 16 18:48:07 GMT 2023
PRIMARY