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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18O7
Molecular Weight 370.3527
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sesaminol, (+)-

SMILES

OC1=CC2=C(OCO2)C=C1[C@H]3OC[C@H]4[C@@H]3CO[C@@H]4C5=CC6=C(OCO6)C=C5

InChI

InChIKey=KQRXQIPRDKVZPW-ISZNXKAUSA-N
InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2/t12-,13-,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18O7
Molecular Weight 370.3527
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
QTS6XJP5LC
Record Status Validated (UNII)
Record Version