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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31Cl2FO6
Molecular Weight 529.425
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUCLORONIDE 21-ACETATE

SMILES

CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]23C

InChI

InChIKey=UTGWGRQXAMYWMN-IUGZLZTKSA-N
InChI=1S/C26H31Cl2FO6/c1-13(30)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(29)17-8-14(31)6-7-23(17,4)25(16,28)19(27)11-24(15,26)5/h6-8,15-16,18-19,21H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31Cl2FO6
Molecular Weight 529.425
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RQZ1OE69IG
Record Status Validated (UNII)
Record Version