6,6,9-TRIFLUORO-11,17,21-TRIHYDROXY-16-METHYL-PREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29F3O5
Molecular Weight	430.4579
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6,6,9-TRIFLUORO-11,17,21-TRIHYDROXY-16-METHYL-PREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Structure Search

SMILES

[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CC(F)(F)C4=CC(=O)CC[C@]34C

InChI

InChIKey=UBYUHDWEONXDAL-QPZANWORSA-N

InChI=1S/C22H29F3O5/c1-11-6-13-14-8-20(23,24)15-7-12(27)4-5-18(15,2)21(14,25)16(28)9-19(13,3)22(11,30)17(29)10-26/h7,11,13-14,16,26,28,30H,4-6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H29F3O5
Molecular Weight	430.4579
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 15:48:52 GMT 2023` Edited by `admin` on `Fri Dec 15 15:48:52 GMT 2023`
Record UNII	TT3T289034
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6,6,9-TRIFLUORO-11,17,21-TRIHYDROXY-16-METHYL-PREGN-4-ENE-3,20-DIONE, (11.BETA.,16.ALPHA.)-

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 6,6,9-TRIFLUORO-11,17,21-TRIHYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

35135-78-5

Created by admin on Fri Dec 15 15:48:52 GMT 2023 , Edited by admin on Fri Dec 15 15:48:52 GMT 2023

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PUBCHEM

117587594

Created by admin on Fri Dec 15 15:48:52 GMT 2023 , Edited by admin on Fri Dec 15 15:48:52 GMT 2023

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FDA UNII

TT3T289034

Created by admin on Fri Dec 15 15:48:52 GMT 2023 , Edited by admin on Fri Dec 15 15:48:52 GMT 2023

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