16,21-O-Trityl-17-hydroxypregna-1,4-diene-3,11,20-trione-d4

Analyte Name

16,21-O-Trityl-17-hydroxypregna-1,4-diene-3,11,20-trione-d4

Molecular Formula

C59 D4 H50 O6

Molecular Weight

863.081

Accurate Mass

862.417

SMILES

[2H]C([2H])(OC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)[C@@]4(O)[C@@H](C[C@H]5[C@@H]6CCC7=CC(=O)C=C[C@]7(C)[C@H]6C(=O)C([2H])([2H])[C@]45C)OC(c8ccccc8)(c9ccccc9)c%10ccccc%10

InChI

InChI=1S/C59H54O6/c1-55-36-35-48(60)37-47(55)33-34-49-50-38-53(65-58(44-27-15-6-16-28-44,45-29-17-7-18-30-45)46-31-19-8-20-32-46)59(63,56(50,2)39-51(61)54(49)55)52(62)40-64-57(41-21-9-3-10-22-41,42-23-11-4-12-24-42)43-25-13-5-14-26-43/h3-32,35-37,49-50,53-54,63H,33-34,38-40H2,1-2H3/t49-,50-,53+,54+,55-,56-,59+/m0/s1/i39D2,40D2

IUPAC

(8S,9S,10R,13S,14S,16R,17S)-12,12-dideuterio-17-(2,2-dideuterio-2-trityloxyacetyl)-17-hydroxy-10,13-dimethyl-16-trityloxy-7,8,9,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,11-dione

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat