6,6,9A-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIEN-3,20-DIONE-21-ACETATE 16,17-ACETONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H31F3O7
Molecular Weight	512.5153
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,6,9A-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIEN-3,20-DIONE-21-ACETATE 16,17-ACETONIDE

Structure Search

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CC(F)(F)C5=CC(=O)C=C[C@]45C

InChI

InChIKey=DWKVEHKKYLCIDJ-SQNISSEFSA-N

InChI=1S/C26H31F3O7/c1-13(30)34-12-19(33)26-20(35-21(2,3)36-26)9-15-16-10-24(27,28)17-8-14(31)6-7-22(17,4)25(16,29)18(32)11-23(15,26)5/h6-8,15-16,18,20,32H,9-12H2,1-5H3/t15-,16-,18-,20+,22-,23-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H31F3O7
Molecular Weight	512.5153
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 15:22:12 GMT 2023` Edited by `admin` on `Fri Dec 15 15:22:12 GMT 2023`
Record UNII	3A8QY089XN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,6,9A-TRIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXY-1,4-PREGNADIEN-3,20-DIONE-21-ACETATE 16,17-ACETONIDE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-6,6,9-TRIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

6,6,9A-TRIFLUORO-11B,16A,17A,21-TETRAHYDROXYPREGNA-1,4-DIENE-3,20-DIONE-16,17-ACETONIDE-21-ACETATE

Common Name

English

Code System Code Type Description

FDA UNII

3A8QY089XN

Created by admin on Fri Dec 15 15:22:12 GMT 2023 , Edited by admin on Fri Dec 15 15:22:12 GMT 2023

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CAS

37502-10-6

Created by admin on Fri Dec 15 15:22:12 GMT 2023 , Edited by admin on Fri Dec 15 15:22:12 GMT 2023

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PUBCHEM

117587623

Created by admin on Fri Dec 15 15:22:12 GMT 2023 , Edited by admin on Fri Dec 15 15:22:12 GMT 2023

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