Epiafzelechin 3-O-gallate, (-)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H18O9
Molecular Weight	426.3729
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Epiafzelechin 3-O-gallate, (-)-

Structure Search

SMILES

OC1=CC=C(C=C1)[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2OC(=O)C4=CC(O)=C(O)C(O)=C4

InChI

InChIKey=SDZPYNMXGUHFMZ-TZIWHRDSSA-N

InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)21-19(9-14-15(25)7-13(24)8-18(14)30-21)31-22(29)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H18O9
Molecular Weight	426.3729
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 15:57:32 GMT 2023` Edited by `admin` on `Sat Dec 16 15:57:32 GMT 2023`
Record UNII	SDC4N7B392
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Epiafzelechin 3-O-gallate, (-)-

Common Name

English

Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester

Common Name

English

(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Systematic Name

English

Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-

Common Name

English

(-)-Epiafzelechin 3-O-gallate

Common Name

English

Code System Code Type Description

CAS

108907-43-3

Created by admin on Sat Dec 16 15:57:33 GMT 2023 , Edited by admin on Sat Dec 16 15:57:33 GMT 2023

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EPA CompTox

DTXSID701308092

Created by admin on Sat Dec 16 15:57:33 GMT 2023 , Edited by admin on Sat Dec 16 15:57:33 GMT 2023

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FDA UNII

SDC4N7B392

Created by admin on Sat Dec 16 15:57:33 GMT 2023 , Edited by admin on Sat Dec 16 15:57:33 GMT 2023

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PUBCHEM

467295

Created by admin on Sat Dec 16 15:57:33 GMT 2023 , Edited by admin on Sat Dec 16 15:57:33 GMT 2023

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