5,7,4'-Tri-O-methylcatechin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H20O6
Molecular Weight	332.3478
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,7,4'-Tri-O-methylcatechin

Structure Search

SMILES

COC1=CC(OC)=C2C[C@H](O)[C@H](OC2=C1)C3=CC(O)=C(OC)C=C3

InChI

InChIKey=WCBCDLSKTYUDDL-KBXCAEBGSA-N

InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3/t14-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H20O6
Molecular Weight	332.3478
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 `Sat Dec 16 15:26:55 GMT 2023` Edited by `admin` on `Sat Dec 16 15:26:55 GMT 2023`
Record UNII	ULN9RE2LGJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,7,4'-Tri-O-methylcatechin

Common Name

English

3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-3-ol, (2R,3S)-

Systematic Name

English

2H-1-Benzopyran-3-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-, (2R-trans)-

Systematic Name

English

2H-1-Benzopyran-3-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-, (2R,3S)-

Systematic Name

English

(2R,3S)-3,4-Dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-2H-1-benzopyran-3-ol

Systematic Name

English

Code System Code Type Description

PUBCHEM

133561920

Created by admin on Sat Dec 16 15:26:55 GMT 2023 , Edited by admin on Sat Dec 16 15:26:55 GMT 2023

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FDA UNII

ULN9RE2LGJ

Created by admin on Sat Dec 16 15:26:55 GMT 2023 , Edited by admin on Sat Dec 16 15:26:55 GMT 2023

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EPA CompTox

DTXSID701128484

Created by admin on Sat Dec 16 15:26:55 GMT 2023 , Edited by admin on Sat Dec 16 15:26:55 GMT 2023

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CAS

105330-59-4

Created by admin on Sat Dec 16 15:26:55 GMT 2023 , Edited by admin on Sat Dec 16 15:26:55 GMT 2023

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