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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20O6
Molecular Weight 356.3692
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CUBEBIN

SMILES

O[C@H]1OC[C@H](CC2=CC3=C(OCO3)C=C2)[C@H]1CC4=CC=C5OCOC5=C4

InChI

InChIKey=DIYWRNLYKJKHAM-MDOVXXIYSA-N
InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H20O6
Molecular Weight 356.3692
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
J237078S8A
Record Status Validated (UNII)
Record Version