Trihydroxycoprostane-d7 24-Phenylsulfonyl 3,7,12-Triethoxymethyl Ether

Analyte Name

Trihydroxycoprostane-d7 24-Phenylsulfonyl 3,7,12-Triethoxymethyl Ether

Molecular Formula

C42 D7 H63 O8 S

Molecular Weight

742.109

Accurate Mass

741.523

SMILES

[2H]C([2H])([2H])C([2H])(C(CC[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](OCOCC)[C@]12C)OCOCC)OCOCC)S(=O)(=O)c5ccccc5)C([2H])([2H])[2H]

InChI

InChI=1S/C42H70O8S/c1-9-45-26-48-32-21-22-41(7)31(23-32)24-37(49-27-46-10-2)40-35-19-18-34(42(35,8)39(25-36(40)41)50-28-47-11-3)30(6)17-20-38(29(4)5)51(43,44)33-15-13-12-14-16-33/h12-16,29-32,34-40H,9-11,17-28H2,1-8H3/t30-,31+,32-,34-,35+,36+,37-,38?,39+,40+,41+,42-/m1/s1/i4D3,5D3,29D

IUPAC

(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-(benzenesulfonyl)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-3,7,12-tris(ethoxymethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat