21-Desacetyl-21-isovaleroyl Difluprednate

Analyte Name

21-Desacetyl-21-isovaleroyl Difluprednate

Molecular Formula

C30H40F2O7

Molecular Weight

550.63

Accurate Mass

550.27

SMILES

C[C@@]12C([C@@H](F)C[C@]3([H])[C@]2(F)[C@@H](O)C[C@@]4(C)[C@@]3([H])CC[C@]4(OC(CCC)=O)C(COC(CC(C)C)=O)=O)=CC(C=C1)=O

InChI

InChI=1S/C30H40F2O7/c1-6-7-25(36)39-29(24(35)16-38-26(37)12-17(2)3)11-9-19-20-14-22(31)21-13-18(33)8-10-27(21,4)30(20,32)23(34)15-28(19,29)5/h8,10,13,17,19-20,22-23,34H,6-7,9,11-12,14-16H2,1-5H3/t19-,20-,22-,23-,27-,28-,29-,30-/m0/s1

IUPAC

2-((6S,8S,9R,10S,11S,13S,14S,17R)-17-(butyryloxy)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 3-methylbutanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat