Diethyl (3alpha,5beta,7alpha,12alpha)-3,7,12-Tris(formyloxy)-25-methylcholestane-26,27-dioic Acid Ester-d3

Analyte Name

Diethyl (3alpha,5beta,7alpha,12alpha)-3,7,12-Tris(formyloxy)-25-methylcholestane-26,27-dioic Acid Ester-d3

Molecular Formula

C35 D3 H51 O10

Molecular Weight

637.816

Accurate Mass

637.391

SMILES

[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC=O)[C@]12C)OC=O)OC=O)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C35H54O10/c1-7-41-31(39)34(5,32(40)42-8-2)14-9-10-22(3)25-11-12-26-30-27(18-29(45-21-38)35(25,26)6)33(4)15-13-24(43-19-36)16-23(33)17-28(30)44-20-37/h19-30H,7-18H2,1-6H3/t22-,23+,24-,25-,26+,27+,28-,29+,30+,33+,35-/m1/s1/i5D3

IUPAC

diethyl 2-(trideuteriomethyl)-2-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-triformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]propanedioate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat