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Substance Name: 4'-Methylepicatechin-3'-sulfate
RN: 1038922-79-0
UNII: PVG9A0TRDG
InChIKey: PCLCJMJFLFTHDU-MLGOLLRUSA-N

Molecular Formula

  • C16-H16-O9-S

Molecular Weight

  • 384.3594
 
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Names and Synonyms

Name of Substance

  • 4'-Methylepicatechin-3'-sulfate

Synonyms

  • (2-Methoxy-5-((2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl) hydrogen sulfate
  • 2-Methoxy-5-((2R,3R)-3,5,7-trihydroxychroman-2-yl)phenyl hydrogen sulfate
  • 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(4-methoxy-3-(sulfooxy)phenyl)-, (2R,3R)-
  • 4'-Methylepicatechin-3'-sulfate
  • 4'-O-Methyl-(-)-epicatechin-3'-sulfate
  • UNII-PVG9A0TRDG

Registry Numbers

CAS Registry Number

  • 1038922-79-0

FDA UNII

  • PVG9A0TRDG

System Generated Number

  • 1038922790

Structure Descriptors

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

InChIKey

PCLCJMJFLFTHDU-MLGOLLRUSA-N

Smiles

COc1ccc(cc1OS(=O)(=O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O