21-CHLORO-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	C24H30ClFO5
Molecular Weight	452.943
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=WWDZEXIJJNQHFV-JNQJZLCISA-N

InChI=1S/C24H30ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h7-9,15-17,19,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H30ClFO5
Molecular Weight	452.943
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 `Fri Dec 15 15:22:05 GMT 2023` Edited by `admin` on `Fri Dec 15 15:22:05 GMT 2023`
Record UNII	ZEP654J3EH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 21-CHLORO-9-FLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70963355

Created by admin on Fri Dec 15 15:22:05 GMT 2023 , Edited by admin on Fri Dec 15 15:22:05 GMT 2023

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PUBCHEM

78759272

Created by admin on Fri Dec 15 15:22:05 GMT 2023 , Edited by admin on Fri Dec 15 15:22:05 GMT 2023

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FDA UNII

ZEP654J3EH

Created by admin on Fri Dec 15 15:22:05 GMT 2023 , Edited by admin on Fri Dec 15 15:22:05 GMT 2023

PRIMARY

CAS

4524-39-4

Created by admin on Fri Dec 15 15:22:05 GMT 2023 , Edited by admin on Fri Dec 15 15:22:05 GMT 2023

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