CO-122739 FREE ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36O5S2
Molecular Weight	444.648
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CSS(O)(=O)=O

InChI

InChIKey=JSZXTMCMGNFZDW-VQOUBXEKSA-N

InChI=1S/C22H36O5S2/c1-20(24)10-11-21(2)14(12-20)4-5-15-16-6-7-18(19(23)13-28-29(25,26)27)22(16,3)9-8-17(15)21/h14-18,24H,4-13H2,1-3H3,(H,25,26,27)/t14-,15-,16-,17-,18+,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H36O5S2
Molecular Weight	444.648
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 `Mon Mar 31 22:38:25 GMT 2025` Edited by `admin` on `Mon Mar 31 22:38:25 GMT 2025`
Record UNII	2DL8Q58L40
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PREGNAN-20-ONE, 3-HYDROXY-3-METHYL-21-(SULFOTHIO)-, (3.ALPHA.,5.ALPHA.)-

Preferred Name

English

CO-122739 FREE ACID

Common Name

English

Code System Code Type Description

PUBCHEM

72941727

Created by admin on Mon Mar 31 22:38:25 GMT 2025 , Edited by admin on Mon Mar 31 22:38:25 GMT 2025

PRIMARY

CAS

749185-35-1

Created by admin on Mon Mar 31 22:38:25 GMT 2025 , Edited by admin on Mon Mar 31 22:38:25 GMT 2025

PRIMARY

FDA UNII

2DL8Q58L40

Created by admin on Mon Mar 31 22:38:25 GMT 2025 , Edited by admin on Mon Mar 31 22:38:25 GMT 2025

PRIMARY

Related Record Type Details


					2DL8Q58L40

CO-122739 FREE ACID

ACTIVE MOIETY