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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O9S
Molecular Weight 384.3596
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-METHYLEPICATECHIN-4'-SULFATE

SMILES

COc1cc(ccc1OS(=O)(=O)O)[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O)O)O

InChI

InChIKey=QGMVQGQNIUVPMC-MLGOLLRUSA-N
InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)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 384.3596
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 Jun 26 05:03:51 UTC 2021
Edited
by admin
on Sat Jun 26 05:03:51 UTC 2021
Record UNII
A77AGF90HJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-METHYLEPICATECHIN-4'-SULFATE
Common Name English
(2-METHOXY-4-((2R,3R)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENYL) HYDROGEN SULFATE
Systematic Name English
3'-O-METHYL-(-)-EPICATECHIN 4'-SULFATE
Common Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(3-METHOXY-4-(SULFOOXY)PHENYL)-, (2R,3R)-
Systematic Name English
2-METHOXY-4-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENYL HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
FDA UNII
A77AGF90HJ
Created by admin on Sat Jun 26 05:03:51 UTC 2021 , Edited by admin on Sat Jun 26 05:03:51 UTC 2021
PRIMARY
CAS
1390702-41-6
Created by admin on Sat Jun 26 05:03:51 UTC 2021 , Edited by admin on Sat Jun 26 05:03:51 UTC 2021
PRIMARY
PUBCHEM
71260093
Created by admin on Sat Jun 26 05:03:51 UTC 2021 , Edited by admin on Sat Jun 26 05:03:51 UTC 2021
PRIMARY
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