4'-METHYLEPICATECHIN-3'-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16O9S
Molecular Weight	384.358
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-METHYLEPICATECHIN-3'-SULFATE

Structure Search

SMILES

COC1=C(OS(O)(=O)=O)C=C(C=C1)[C@H]2OC3=C(C[C@H]2O)C(O)=CC(O)=C3

InChI

InChIKey=PCLCJMJFLFTHDU-MLGOLLRUSA-N

InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-15(13)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H16O9S
Molecular Weight	384.358
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 07:59:53 GMT 2023` Edited by `admin` on `Sat Dec 16 07:59:53 GMT 2023`
Record UNII	PVG9A0TRDG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-METHYLEPICATECHIN-3'-SULFATE

Common Name

English

2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(4-METHOXY-3-(SULFOOXY)PHENYL)-, (2R,3R)-

Systematic Name

English

(2-METHOXY-5-((2R,3R)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENYL) HYDROGEN SULFATE

Systematic Name

English

2-METHOXY-5-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENYL HYDROGEN SULFATE

Systematic Name

English

4'-O-METHYL-(-)-EPICATECHIN-3'-SULFATE

Common Name

English

Code System Code Type Description

PUBCHEM

71579211

Created by admin on Sat Dec 16 07:59:53 GMT 2023 , Edited by admin on Sat Dec 16 07:59:53 GMT 2023

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CAS

1038922-79-0

Created by admin on Sat Dec 16 07:59:53 GMT 2023 , Edited by admin on Sat Dec 16 07:59:53 GMT 2023

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FDA UNII

PVG9A0TRDG

Created by admin on Sat Dec 16 07:59:53 GMT 2023 , Edited by admin on Sat Dec 16 07:59:53 GMT 2023

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