U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38F2O6
Molecular Weight 508.5945
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUMETHASONE CAPROATE

SMILES

CCCCCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO

InChI

InChIKey=QVAGYGXLNNOGML-AVDTUEDGSA-N
InChI=1S/C28H38F2O6/c1-5-6-7-8-24(35)36-28(23(34)15-31)16(2)11-18-19-13-21(29)20-12-17(32)9-10-25(20,3)27(19,30)22(33)14-26(18,28)4/h9-10,12,16,18-19,21-22,31,33H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H38F2O6
Molecular Weight 508.5945
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
P3T79C164O
Record Status Validated (UNII)
Record Version