7ALFA-THIOMETHYLSPIRONOLACTONE SULFOXIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H32O4S
Molecular Weight	404.563
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7ALFA-THIOMETHYLSPIRONOLACTONE SULFOXIDE

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)[S@@](C)=O

InChI

InChIKey=ADVFYBFTUKGFGC-FLWPULIFSA-N

InChI=1S/C23H32O4S/c1-21-8-4-15(24)12-14(21)13-18(28(3)26)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)27-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+,28?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O4S
Molecular Weight	404.563
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:59:17 UTC 2023` Edited by `admin` on `Sat Dec 16 16:59:17 UTC 2023`
Record UNII	59MB937W7X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

7ALFA-THIOMETHYLSPIRONOLACTONE SULFOXIDE

Common Name

English

7ALPHA-(METHYLTHIO)SPIRONOLACTONE S-OXIDE

Common Name

English

(1R,3aS,3bR,4R,9aR,9bS,11aS)-4-methanesulfinyl-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-5',7-dione

Systematic Name

English

3-(3-Oxo-7α-methylsulfinyl-17β-hydroxy-4-androsten-17α-yl)propionic acid γ-lactone

Systematic Name

English

Pregn-4-ene-21-carboxylic acid, 17-hydroxy-7-(methylsulfinyl)-3-oxo-, γ-lactone, (7α,17α)-

Systematic Name

English

Code System Code Type Description

FDA UNII

59MB937W7X