17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID, 17-HYDROXY-7.BETA.-MERCAPTO-3-OXO-, .GAMMA.-LACTONE, ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32O4S
Molecular Weight	416.573
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID, 17-HYDROXY-7.BETA.-MERCAPTO-3-OXO-, .GAMMA.-LACTONE, ACETATE

Structure Search

SMILES

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@]([H])(CC5=CC(=O)CC[C@]45C)SC(C)=O

InChI

InChIKey=LXMSZDCAJNLERA-KVXIHFSQSA-N

InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19-,21+,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H32O4S
Molecular Weight	416.573
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:56:00 UTC 2023` Edited by `admin` on `Sat Dec 16 14:56:00 UTC 2023`
Record UNII	8NK6P5VN96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACID, 17-HYDROXY-7.BETA.-MERCAPTO-3-OXO-, .GAMMA.-LACTONE, ACETATE

Systematic Name

English

SPIRONOLACTONE IMPURITY E [EP IMPURITY]

Common Name

English

S-((2R)-3,5-DIOXO-3,4-DIHYDRO-5H-SPIRO(ANDROST-4-ENE-17,2-FURAN)-7.BETA.-YL) ETHANETHIOATE

Systematic Name

English

3'-(3-OXO-7.BETA.-ACETYLTHIO-17.BETA.-HYDROXYANDROST-4-EN-17.ALPHA.-YL)-PROPIONIC ACID LACTONE

Systematic Name

English

SC 11940

Code

English

7.BETA.-SPIRONOLACTONE

Common Name

English

7.BETA.-(ACETYLTHIO)-17.ALPHA.-HYDROXY-3-OXOPREGN-4-ENE-21-CARBOXYLIC ACID .GAMMA.-LACTONE

Systematic Name

English

PREGN-4-ENE-21-CARBOXYLIC ACID, 7-(ACETYLTHIO)-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (7.BETA.,17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

8NK6P5VN96

Created by admin on Sat Dec 16 14:56:00 UTC 2023 , Edited by admin on Sat Dec 16 14:56:00 UTC 2023

PRIMARY

EPA CompTox

DTXSID10467802

Created by admin on Sat Dec 16 14:56:00 UTC 2023 , Edited by admin on Sat Dec 16 14:56:00 UTC 2023

PRIMARY

PUBCHEM

11509929

Created by admin on Sat Dec 16 14:56:00 UTC 2023 , Edited by admin on Sat Dec 16 14:56:00 UTC 2023

PRIMARY

CAS

33784-05-3

Created by admin on Sat Dec 16 14:56:00 UTC 2023 , Edited by admin on Sat Dec 16 14:56:00 UTC 2023

PRIMARY

Related Record Type Details


					27O7W4T232

SPIRONOLACTONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: