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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H20O9
Molecular Weight 452.4102
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINCHONAIN IB

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C4=C(OC(=O)C[C@H]4C5=CC(O)=C(O)C=C5)C=C2O

InChI

InChIKey=LKCOZWLUAKSRQM-IBUUURQNSA-N
InChI=1S/C24H20O9/c25-14-3-1-10(5-17(14)28)12-8-21(31)32-20-9-16(27)13-7-19(30)23(33-24(13)22(12)20)11-2-4-15(26)18(29)6-11/h1-6,9,12,19,23,25-30H,7-8H2/t12-,19+,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H20O9
Molecular Weight 452.4102
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

Substance Class Chemical
Record UNII
F742N63ATR
Record Status Validated (UNII)
Record Version