21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H33FO6S
Molecular Weight	492.6
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Structure Search

SMILES

CC(=O)SCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]23C

InChI

InChIKey=GRRBVWYTAUOCHX-VHDCPBDGSA-N

InChI=1S/C26H33FO6S/c1-14(28)34-13-20(31)26-21(32-22(2,3)33-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H33FO6S
Molecular Weight	492.6
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 18:08:06 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:06 GMT 2025`
Record UNII	BCZ3IO17HK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Common Name

English

9-FLUORO-11B,16A,17-TRIHYDROXY-21-MERCAPTOPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Preferred Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BCZ3IO17HK

Created by admin on Mon Mar 31 18:08:06 GMT 2025 , Edited by admin on Mon Mar 31 18:08:06 GMT 2025

PRIMARY

PUBCHEM

91617988

Created by admin on Mon Mar 31 18:08:06 GMT 2025 , Edited by admin on Mon Mar 31 18:08:06 GMT 2025

PRIMARY

CAS

52600-26-7

Created by admin on Mon Mar 31 18:08:06 GMT 2025 , Edited by admin on Mon Mar 31 18:08:06 GMT 2025

PRIMARY

Related Record Type Details


					BCZ3IO17HK

21-(ACETYLTHIO)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))PREGNA-1,4-DIENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

ACTIVE MOIETY