Analyte Name

Diethyl 3,7-Bis(formyloxy)-25-methyl-cholestane-26,27-dioic Acid Ester-d3

Molecular Formula

C34 D3 H51 O8

Molecular Weight

593.806

Accurate Mass

593.401

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]3CC[C@]12C)OC=O)OC=O)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C34H54O8/c1-7-39-30(37)34(6,31(38)40-8-2)15-9-10-22(3)25-11-12-26-29-27(14-17-33(25,26)5)32(4)16-13-24(41-20-35)18-23(32)19-28(29)42-21-36/h20-29H,7-19H2,1-6H3/t22-,23+,24-,25-,26+,27+,28-,29+,32+,33-/m1/s1/i6D3

IUPAC

diethyl 2-[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diformyloxy-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]-2-(trideuteriomethyl)propanedioate

Unlabelled CAS Number

264128-68-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat