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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44ClNO7
Molecular Weight 590.147
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ciclometasone

SMILES

[H][C@@]12C[C@H](C)[C@](O)(C(=O)COC(=O)C3CCC(CNC(C)=O)CC3)[C@@]1(C)C[C@H](O)[C@@]4(Cl)[C@@]2([H])CCC5=CC(=O)C=C[C@]45C

InChI

InChIKey=UYVYDRXVNVNQEA-BJTOFBPUSA-N
InChI=1S/C32H44ClNO7/c1-18-13-25-24-10-9-22-14-23(36)11-12-29(22,3)31(24,33)26(37)15-30(25,4)32(18,40)27(38)17-41-28(39)21-7-5-20(6-8-21)16-34-19(2)35/h11-12,14,18,20-21,24-26,37,40H,5-10,13,15-17H2,1-4H3,(H,34,35)/t18-,20?,21?,24-,25-,26-,29-,30-,31-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H44ClNO7
Molecular Weight 590.147
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
85H8W42FJ2
Record Status Validated (UNII)
Record Version