6,9.ALPHA.-DIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXYPREGNA-1,4,6-TRIENE-3,20-DIONE 16,17-ACETONIDE 21-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H30F2O7
Molecular Weight	492.509
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,9.ALPHA.-DIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXYPREGNA-1,4,6-TRIENE-3,20-DIONE 16,17-ACETONIDE 21-ACETATE

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])C=C(F)C5=CC(=O)C=C[C@]45C

InChI

InChIKey=XLVHOCJKNPCAQO-YRCSZXIRSA-N

InChI=1S/C26H30F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-9,15-16,19,21,31H,10-12H2,1-5H3/t15-,16-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H30F2O7
Molecular Weight	492.509
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 15:33:04 GMT 2023` Edited by `admin` on `Fri Dec 15 15:33:04 GMT 2023`
Record UNII	TAW8Q0NC0W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

6,9.ALPHA.-DIFLUORO-11.BETA.,16.ALPHA.,17.ALPHA.,21-TETRAHYDROXYPREGNA-1,4,6-TRIENE-3,20-DIONE 16,17-ACETONIDE 21-ACETATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

105918-35-2

Created by admin on Fri Dec 15 15:33:04 GMT 2023 , Edited by admin on Fri Dec 15 15:33:04 GMT 2023

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PUBCHEM

138454958

Created by admin on Fri Dec 15 15:33:04 GMT 2023 , Edited by admin on Fri Dec 15 15:33:04 GMT 2023

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FDA UNII

TAW8Q0NC0W

Created by admin on Fri Dec 15 15:33:04 GMT 2023 , Edited by admin on Fri Dec 15 15:33:04 GMT 2023

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