U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H22O6
Molecular Weight 454.4707
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .EPSILON.-VINIFERIN

SMILES

OC1=CC=C(\C=C\C2=CC(O)=CC3=C2[C@H]([C@@H](O3)C4=CC=C(O)C=C4)C5=CC(O)=CC(O)=C5)C=C1

InChI

InChIKey=FQWLMRXWKZGLFI-YVYUXZJTSA-N
InChI=1S/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H/b4-1+/t27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H22O6
Molecular Weight 454.4707
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
0K8Z2K6Y7O
Record Status Validated (UNII)
Record Version