2-Bromo-6?-fluoro-17,21-dihydroxy-16?-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28BrFO5
Molecular Weight	495.379
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Bromo-6?-fluoro-17,21-dihydroxy-16?-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate

Structure Search

SMILES

C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

InChI

InChIKey=PSNYSZVUCFWIID-MGQHRJHGSA-N

InChI=1S/C24H28BrFO5/c1-12-7-16-14-8-19(26)17-9-20(28)18(25)10-22(17,3)15(14)5-6-23(16,4)24(12,30)21(29)11-31-13(2)27/h5,9-10,12,14,16,19,30H,6-8,11H2,1-4H3/t12-,14+,16-,19+,22+,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H28BrFO5
Molecular Weight	495.379
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:02:17 GMT 2025` Edited by `admin` on `Tue Apr 01 19:02:17 GMT 2025`
Record UNII	NUM6HP2TDN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Bromo-6?-fluoro-17,21-dihydroxy-16?-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate

Systematic Name

English

Pregna-1,4,9(11)-triene-3,20-dione, 21-(acetyloxy)-2-bromo-6-fluoro-17-hydroxy-16-methyl-, (6?,16?)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

6454077