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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24O14
Molecular Weight 560.4604
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(β-D-Glucopyranosyloxy)-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]-1-benzopyran-3-carboxaldehyde

SMILES

COC1=CC(=CC(OC)=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=C(C=O)C(=O)OC5=CC(O)=CC(O2)=C45

InChI

InChIKey=DYYPRYJWENTOEN-DMRYIZGCSA-N
InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)30)23-24(40-26-22(33)21(32)20(31)16(8-28)39-26)17-11(7-27)25(34)38-13-6-10(29)5-12(37-23)18(13)17/h3-7,16,20-22,26,28-33H,8H2,1-2H3/t16-,20-,21+,22-,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H24O14
Molecular Weight 560.4604
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:18:06 GMT 2023
Edited
by admin
on Sat Dec 16 19:18:06 GMT 2023
Record UNII
QKS9AU5KZ3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(β-D-Glucopyranosyloxy)-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]-1-benzopyran-3-carboxaldehyde
Systematic Name English
2H-Pyrano[4,3,2-de]-1-benzopyran-3-carboxaldehyde, 4-(β-D-glucopyranosyloxy)-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-
Systematic Name English
Vitisin A (pyranoanthocyanin)
Common Name English
Code System Code Type Description
FDA UNII
QKS9AU5KZ3
Created by admin on Sat Dec 16 19:18:06 GMT 2023 , Edited by admin on Sat Dec 16 19:18:06 GMT 2023
PRIMARY
CAS
743402-60-0
Created by admin on Sat Dec 16 19:18:06 GMT 2023 , Edited by admin on Sat Dec 16 19:18:06 GMT 2023
PRIMARY
WIKIPEDIA
Vitisin A (pyranoanthocyanin)
Created by admin on Sat Dec 16 19:18:06 GMT 2023 , Edited by admin on Sat Dec 16 19:18:06 GMT 2023
PRIMARY