DB-215955

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26BrFO4
Molecular Weight	453.342
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(Br)C(=O)CO

InChI

InChIKey=AHRBEUCKLPVLDF-JPEOZNMXSA-N

InChI=1S/C22H26BrFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,23)17(27)10-25/h4-5,7,11,13-14,16,18,25H,6,8-10H2,1-3H3/t11-,13+,14+,16-,18+,19+,20+,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26BrFO4
Molecular Weight	453.342
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:56:42 GMT 2025` Edited by `admin` on `Wed Apr 02 20:56:42 GMT 2025`
Record UNII	44VYR88PDA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DB215955

Preferred Name

English

DB-215955

Code

English

17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

Systematic Name

English

17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpreg

Systematic Name

English

9,11-Epoxy-9H-cyclopenta[a]phenanthrene,pregna-1,4-diene-3,20-dione deriv.

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20976854

Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025

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CAS

61339-44-4

Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025

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FDA UNII

44VYR88PDA

Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025

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PUBCHEM

22798236

Created by admin on Wed Apr 02 20:56:42 GMT 2025 , Edited by admin on Wed Apr 02 20:56:42 GMT 2025

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