21-CHLORO-9-FLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETOPHENONE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C29H34ClFO5
Molecular Weight	517.029
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 21-CHLORO-9-FLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETOPHENONE

Structure Search

SMILES

[H][C@@]12C[C@H]3OC(C)(O[C@@]3(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CCC5=CC(=O)CC[C@]45C)C6=CC=CC=C6

InChI

InChIKey=LVXSYNQPGNAMAJ-ZPHQKVKWSA-N

InChI=1S/C29H34ClFO5/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-30,26(21,2)15-22(33)28(20,25)31)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,13,20-22,24,33H,9-12,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27?,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H34ClFO5
Molecular Weight	517.029
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:35:53 GMT 2023` Edited by `admin` on `Fri Dec 15 15:35:53 GMT 2023`
Record UNII	P737LFT098
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

21-CHLORO-9-FLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE CYCLIC 16,17-ACETAL WITH ACETOPHENONE

Common Name

English

PREGN-4-ENE-3,20-DIONE, 21-CHLORO-9-FLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-, CYCLIC 16,17-ACETAL WITH ACETOPHENONE

Systematic Name

English

Code System Code Type Description

FDA UNII

P737LFT098

Created by admin on Fri Dec 15 15:35:53 GMT 2023 , Edited by admin on Fri Dec 15 15:35:53 GMT 2023

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PUBCHEM

91618182

Created by admin on Fri Dec 15 15:35:53 GMT 2023 , Edited by admin on Fri Dec 15 15:35:53 GMT 2023

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CAS

16463-84-6

Created by admin on Fri Dec 15 15:35:53 GMT 2023 , Edited by admin on Fri Dec 15 15:35:53 GMT 2023

PRIMARY