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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O6
Molecular Weight 304.2946
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-METHYLEPICATECHIN

SMILES

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

InChI

InChIKey=NJHJXXLBWQXMRO-CZUORRHYSA-N
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O6
Molecular Weight 304.2946
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 09:54:26 UTC 2023
Edited
by admin
on Sat Dec 16 09:54:26 UTC 2023
Record UNII
67FI825885
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-METHYLEPICATECHIN
Common Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-, (2R,3R)-
Systematic Name English
(2R,3R)-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DIHYDRO-2H-CHROMENE-3,5,7-TRIOL
Systematic Name English
SYMPLOCOSIDIN
Common Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-, (2R-CIS)-
Systematic Name English
3'-O-METHYL-(-)-EPICATECHIN
Common Name English
Code System Code Type Description
FDA UNII
67FI825885
Created by admin on Sat Dec 16 09:54:26 UTC 2023 , Edited by admin on Sat Dec 16 09:54:26 UTC 2023
PRIMARY
CAS
76549-34-3
Created by admin on Sat Dec 16 09:54:26 UTC 2023 , Edited by admin on Sat Dec 16 09:54:26 UTC 2023
PRIMARY
PUBCHEM
11420256
Created by admin on Sat Dec 16 09:54:26 UTC 2023 , Edited by admin on Sat Dec 16 09:54:26 UTC 2023
PRIMARY
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