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

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

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 `Sat Dec 16 09:23:14 GMT 2023` Edited by `admin` on `Sat Dec 16 09:23:14 GMT 2023`
Record UNII	2DL8Q58L40
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CO-122739 FREE ACID

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

72941727

Created by admin on Sat Dec 16 09:23:14 GMT 2023 , Edited by admin on Sat Dec 16 09:23:14 GMT 2023

PRIMARY

CAS

749185-35-1

Created by admin on Sat Dec 16 09:23:14 GMT 2023 , Edited by admin on Sat Dec 16 09:23:14 GMT 2023

PRIMARY

FDA UNII

2DL8Q58L40

Created by admin on Sat Dec 16 09:23:14 GMT 2023 , Edited by admin on Sat Dec 16 09:23:14 GMT 2023

PRIMARY

Related Record Type Details


					2DL8Q58L40

CO-122739 FREE ACID

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