(2'R)-7ALPHA-(ACETYLTHIO)-5'H-SPIRO(ANDROST-4-ENE-17,2'-FURAN)-3,5'-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H30O4S
Molecular Weight	414.558
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2'R)-7ALPHA-(ACETYLTHIO)-5'H-SPIRO(ANDROST-4-ENE-17,2'-FURAN)-3,5'-DIONE

Structure Search

SMILES

[H][C@@]12CC[C@]3(OC(=O)C=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@@H](CC5=CC(=O)CC[C@]45C)SC(C)=O

InChI

InChIKey=KCWOLKZQDUPWRC-ZHYRCANASA-N

InChI=1S/C24H30O4S/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/h7,11-12,17-19,21H,4-6,8-10,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30O4S
Molecular Weight	414.558
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 19:07:28 GMT 2023` Edited by `admin` on `Sat Dec 16 19:07:28 GMT 2023`
Record UNII	NE78JL28MG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2'R)-7ALPHA-(ACETYLTHIO)-5'H-SPIRO(ANDROST-4-ENE-17,2'-FURAN)-3,5'-DIONE

Systematic Name

English

SPIRONOLACTONE RELATED COMPOUND B [USP-RS]

Common Name

English

SPIRONOLACTONE IMPURITY A [EP IMPURITY]

Common Name

English

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

Systematic Name

English

(2R)-3,4-DIHYDRO-5H-SPIRO(ANDROST-4,6-DIENE-17,2-FURAN)-3,5-DIONE.

Systematic Name

English

.DELTA.20-SPIRONOLACTONE

Common Name

English

PREGNA-4,20-DIENE-21-CARBOXYLIC ACID, 7-(ACETYLTHIO)-17-HYDROXY-3-OXO-, .GAMMA.-LACTONE, (7.ALPHA.,17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

14748917

Created by admin on Sat Dec 16 19:07:28 GMT 2023 , Edited by admin on Sat Dec 16 19:07:28 GMT 2023

PRIMARY

RS_ITEM_NUM

1619028

Created by admin on Sat Dec 16 19:07:28 GMT 2023 , Edited by admin on Sat Dec 16 19:07:28 GMT 2023

PRIMARY

FDA UNII

NE78JL28MG

Created by admin on Sat Dec 16 19:07:28 GMT 2023 , Edited by admin on Sat Dec 16 19:07:28 GMT 2023

PRIMARY

CAS

132458-33-4

Created by admin on Sat Dec 16 19:07:28 GMT 2023 , Edited by admin on Sat Dec 16 19:07:28 GMT 2023

PRIMARY

Related Record Type Details


					27O7W4T232

SPIRONOLACTONE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: