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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O11
Molecular Weight 434.3503
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVICULARIN

SMILES

OC[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC(O)=C(O)C=C4)[C@H](O)[C@H]1O

InChI

InChIKey=BDCDNTVZSILEOY-UXYNSRGZSA-N
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18O11
Molecular Weight 434.3503
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
TN38NQ38BQ
Record Status Validated (UNII)
Record Version