(11Beta,​17Alpha)​-17-​[(Ethoxycarbonyl)​oxy]​-​11-​hydroxy-​3-​oxo-​androsta-​1,​4-​diene-​17-​carboxylic Acid-d3

Analyte Name

(11beta,17alpha)-17-[(Ethoxycarbonyl)oxy]-11-hydroxy-3-oxo-androsta-1,4-diene-17-carboxylic Acid-d3

Molecular Formula

C23H27D3O7

Molecular Weight

421.5

Accurate Mass

421.22

SMILES

C[C@]1([C@]2([H])[C@@](CCC3=CC4=O)([H])[C@]([C@]3(C=C4)C)([H])[C@@H](O)C1)[C@@](C(O)=O)(CC2)OC(OCC([2H])([2H])[2H])=O

InChI

InChI=1S/C23H30O7/c1-4-29-20(28)30-23(19(26)27)10-8-16-15-6-5-13-11-14(24)7-9-21(13,2)18(15)17(25)12-22(16,23)3/h7,9,11,15-18,25H,4-6,8,10,12H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,21-,22-,23-/m0/s1/i1D3

IUPAC

(8S,9S,10R,11S,13S,14S,17R)-17-(((ethoxy-2,2,2-d3)carbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid

Unlabelled CAS Number

133991-63-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat