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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27FO4
Molecular Weight 374.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-DEHYDRODESOXYMETASONE

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)C=O

InChI

InChIKey=WTFBQEPBRAYYTL-IIEHVVJPSA-N
InChI=1S/C22H27FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,11-12,15-16,18-19,27H,4-5,8,10H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27FO4
Molecular Weight 374.4458
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
CP5RPL6KSP
Record Status Validated (UNII)
Record Version