ALPHA-BROMADIOLONE

Details

Stereochemistry	RACEMIC
Molecular Formula	C30H23BrO4
Molecular Weight	527.405
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H](C[C@H](C1=CC=CC=C1)C2=C(O)C3=C(OC2=O)C=CC=C3)C4=CC=C(C=C4)C5=CC=C(Br)C=C5

InChI

InChIKey=OWNRRUFOJXFKCU-CLJLJLNGSA-N

InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2/t25-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H23BrO4
Molecular Weight	527.405
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:46:08 GMT 2025` Edited by `admin` on `Wed Apr 02 13:46:08 GMT 2025`
Record UNII	9B9M3N32JT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALPHA-BROMADIOLONE

Official Name

English

ALPHA-BROMADIOLONE [ISO]

Preferred Name

English

2H-1-BENZOPYRAN-2-ONE, 3-((1R,3S)-3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-, REL-

Systematic Name

English

REL-3-((1R,3S)-3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

3-(3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

2H-1-BENZOPYRAN-2-ONE, 3-(3-(4'-BROMO(1,1'-BIPHENYL)-4-YL)-3-HYDROXY-1-PHENYLPROPYL)-4-HYDROXY-, (R*,S*)-

Systematic Name

English

Code System Code Type Description

ALANWOOD

alpha-bromadiolone