3',4'-O,O-(DI(FLUOROPHENYL)METHYLENE)-(+)-CATECHIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H20F2O6
Molecular Weight	490.4516
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3',4'-O,O-(DI(FLUOROPHENYL)METHYLENE)-(+)-CATECHIN

Structure Search

SMILES

O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C3=CC4=C(OC(O4)(C5=CC=C(F)C=C5)C6=CC=C(F)C=C6)C=C3

InChI

InChIKey=PLNCZRAUVTYXPB-WNCULLNHSA-N

InChI=1S/C28H20F2O6/c29-18-6-2-16(3-7-18)28(17-4-8-19(30)9-5-17)35-24-10-1-15(11-26(24)36-28)27-23(33)14-21-22(32)12-20(31)13-25(21)34-27/h1-13,23,27,31-33H,14H2/t23-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H20F2O6
Molecular Weight	490.4516
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 `Tue Apr 01 16:30:54 GMT 2025` Edited by `admin` on `Tue Apr 01 16:30:54 GMT 2025`
Record UNII	054E914L1N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3',4'-O,O-(DI(FLUOROPHENYL)METHYLENE)-(+)-CATECHIN

Common Name

English

(2R-TRANS)-2-(2,2-BIS(4-FLUOROPHENYL)-1,3-BENZODIOXOL-5-YL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-3,5,7-TRIOL

Preferred Name

English

2H-1-BENZOPYRAN-3,5,7-TRIOL, 2-(2,2-BIS(4-FLUOROPHENYL)-1,3-BENZODIOXOL-5-YL)-3,4-DIHYDRO-, (2R-TRANS)-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

289-487-0