7.BETA.-EPLERENONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30O6
Molecular Weight	414.4914
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3(C)[C@@]([H])(CC[C@@]34CCC(=O)O4)[C@]5([H])[C@H](CC6=CC(=O)CC[C@]6(C)[C@@]15O2)C(=O)OC

InChI

InChIKey=JUKPWJGBANNWMW-ASKHZCCRSA-N

InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16-,17+,19-,21-,22-,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30O6
Molecular Weight	414.4914
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:48:06 UTC 2023` Edited by `admin` on `Sat Dec 16 18:48:06 UTC 2023`
Record UNII	Y9GZQ573PG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7.BETA.-EPLERENONE

Common Name

English

EPLERENONE IMPURITY E [EP IMPURITY]

Common Name

English

METHYL (1R,2S,9S,10R,11S,14R,15S,17R)-2,15-DIMETHYL-5,5'-DIOXOSPIRO(18-OXAPENTACYCLO(8.8.0.01,17.02,7.011,15)OCTADEC-6-ENE-14,2'-OXOLANE)-9-CARBOXYLATE

Systematic Name

English

PREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, METHYL ESTER, (7.BETA.,11.ALPHA.,17.ALPHA.)-

Systematic Name

English

9,11.ALPHA.-EPOXY-7.BETA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21,17-CARBOLACTONE

Systematic Name

English

(7.BETA.,11.ALPHA.,17.ALPHA.)-9,11-EPOXY-17-HYDROXY-3-OXO-PREGN-4-ENE-7,21-DICARBOXYLIC ACID .GAMMA.-LACTONE METHYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

71777269

Created by admin on Sat Dec 16 18:48:07 UTC 2023 , Edited by admin on Sat Dec 16 18:48:07 UTC 2023

PRIMARY

CAS

209253-81-6

Created by admin on Sat Dec 16 18:48:07 UTC 2023 , Edited by admin on Sat Dec 16 18:48:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID60747702

Created by admin on Sat Dec 16 18:48:07 UTC 2023 , Edited by admin on Sat Dec 16 18:48:07 UTC 2023

PRIMARY

FDA UNII

Y9GZQ573PG

Created by admin on Sat Dec 16 18:48:07 UTC 2023 , Edited by admin on Sat Dec 16 18:48:07 UTC 2023

PRIMARY

Related Record Type Details


					6995V82D0B

EPLERENONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: