9,11-Epoxy-17-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]pregna-1,4-diene-3,20-dione, (9?,11?,16?)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O7S
Molecular Weight	450.545
Optical Activity	( + )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9,11-Epoxy-17-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]pregna-1,4-diene-3,20-dione, (9?,11?,16?)-

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)COS(C)(=O)=O

InChI

InChIKey=XRNUACNURSKYPP-CWSMGMHUSA-N

InChI=1S/C23H30O7S/c1-13-9-17-16-6-5-14-10-15(24)7-8-20(14,2)23(16)19(30-23)11-21(17,3)22(13,26)18(25)12-29-31(4,27)28/h7-8,10,13,16-17,19,26H,5-6,9,11-12H2,1-4H3/t13-,16+,17+,19+,20+,21+,22+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O7S
Molecular Weight	450.545
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 `Wed Apr 02 19:49:34 GMT 2025` Edited by `admin` on `Wed Apr 02 19:49:34 GMT 2025`
Record UNII	Q24RKC338X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9,11-Epoxy-17-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]pregna-1,4-diene-3,20-dione, (9?,11?,16?)-

Systematic Name

English

(9?,11?,16?)-9,11-Epoxy-17-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]pregna-1,4-diene-3,20-dione

Preferred Name

English

Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17-hydroxy-16-methyl-21-[(methylsulfonyl)oxy]-, (9?,11?,16?)-

Systematic Name

English

Code System Code Type Description

FDA UNII

Q24RKC338X

Created by admin on Wed Apr 02 19:49:34 GMT 2025 , Edited by admin on Wed Apr 02 19:49:34 GMT 2025

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CAS

223776-47-4

Created by admin on Wed Apr 02 19:49:34 GMT 2025 , Edited by admin on Wed Apr 02 19:49:34 GMT 2025

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PUBCHEM

23243598

Created by admin on Wed Apr 02 19:49:34 GMT 2025 , Edited by admin on Wed Apr 02 19:49:34 GMT 2025

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