21-Dehydro Isoflupredone

Product Specifications

CAS Number

805-14-1

Synonyms

9-Fluoro-11β,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-al; 9-Fluoro-11β,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-al;

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

C[C@@]12[C@](C(C([H])=O)=O)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C2)=O>>C[C@@]56[C@](C(C(O)O)=O)(O)CC[C@@]5([H])[C@]7([H])CCC8=CC(C=C[C@]8(C)[C@@]7(F)[C@@H](O)C6)=O

Molecular Formula

C21H25FO5

Molecular Weight

394.43388

InChI

InChI=1S/C21H27FO6.C21H25FO5/c1-18-7-5-12(23)9-11(18)3-4-14-13-6-8-20(28,16(25)17(26)27)19(13,2)10-15(24)21(14,18)22;1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,13-15,17,24,26-28H,3-4,6,8,10H2,1-2H3;5,7,9,11,14-16,25,27H,3-4,6,8,10H2,1-2H3/t13-,14-,15-,18-,19-,20-,21-;14-,15-,16-,18-,19-,20-,21-/m00/s1

Additionnal Information

IUPAC name: 2-((8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-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-oxoacetaldehyde and(8S,9R,10S,11S,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one