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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27FO4
Molecular Weight 374.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [DEXAMETHASONE-.DELTA.17,20 21-ALDEHYDE]

SMILES

[H][C@@]12C[C@@H](C)C(=C(O)C=O)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=TYYMPHSFTLTHRI-KNUORSFASA-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/h6-7,9,11-12,15-16,18,26-27H,4-5,8,10H2,1-3H3/b19-17-/t12-,15+,16+,18+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27FO4
Molecular Weight 374.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:08:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:06 GMT 2023
Record UNII
2X782WR3Z5
Record Status alternative
Record Version
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Related Record Type Details
Primary Definition