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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H22Cl2O12
Molecular Weight 585.341
Optical Activity ( + )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCH-202596

SMILES

COC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1OC2=C3C(=O)[C@@]4(OC3=C(Cl)C(C)=C2Cl)C(OC)=CC(=O)C=C4C(=O)OC

InChI

InChIKey=LNGFWDFUPRZMJI-VEHFIHCQSA-N
InChI=1S/C25H22Cl2O12/c1-8-15(26)20(38-19-10(23(33)36-3)7-12(29)17(30)18(19)31)14-21(16(8)27)39-25(22(14)32)11(24(34)37-4)5-9(28)6-13(25)35-2/h5-7,12,17-19,29-31H,1-4H3/t12-,17-,18+,19-,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H22Cl2O12
Molecular Weight 585.341
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8Q8NDZ467M
Record Status Validated (UNII)
Record Version