21-CHLORO-9-FLUORO-3.BETA.,11.BETA.,16.ALPHA.,17-TETRAHYDROXYPREGN-4-EN-20-ONE-16,17-ACETONIDE-3-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36ClFO6
Molecular Weight	499.012
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-CHLORO-9-FLUORO-3.BETA.,11.BETA.,16.ALPHA.,17-TETRAHYDROXYPREGN-4-EN-20-ONE-16,17-ACETONIDE-3-ACETATE

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=C[C@H](CC[C@]45C)OC(C)=O

InChI

InChIKey=ARRTUKQQKWPILK-YDXBQFKCSA-N

InChI=1S/C26H36ClFO6/c1-14(29)32-16-8-9-23(4)15(10-16)6-7-17-18-11-21-26(20(31)13-27,34-22(2,3)33-21)24(18,5)12-19(30)25(17,23)28/h10,16-19,21,30H,6-9,11-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H36ClFO6
Molecular Weight	499.012
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:26:14 GMT 2023` Edited by `admin` on `Sat Dec 16 05:26:14 GMT 2023`
Record UNII	0C0P8M92CI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-CHLORO-9-FLUORO-3.BETA.,11.BETA.,16.ALPHA.,17-TETRAHYDROXYPREGN-4-EN-20-ONE-16,17-ACETONIDE-3-ACETATE

Common Name

English

PREGN-4-EN-20-ONE, 3-(ACETYLOXY)-21-CHLORO-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (3.BETA.,11.BETA.,16.ALPHA.)-

Common Name

English

Code System Code Type Description

CAS

60646-27-7

Created by admin on Sat Dec 16 05:26:14 GMT 2023 , Edited by admin on Sat Dec 16 05:26:14 GMT 2023

PRIMARY

PUBCHEM

91810530

Created by admin on Sat Dec 16 05:26:14 GMT 2023 , Edited by admin on Sat Dec 16 05:26:14 GMT 2023

PRIMARY

FDA UNII

0C0P8M92CI

Created by admin on Sat Dec 16 05:26:14 GMT 2023 , Edited by admin on Sat Dec 16 05:26:14 GMT 2023

PRIMARY