Analyte Name

Salannin acetyl-d3

Molecular Formula

C34 D3 H41 O9

Molecular Weight

599.726

Accurate Mass

599.317

SMILES

[2H]C([2H])([2H])C(=O)O[C@@H]1C[C@H](OC(=O)\C(=C\C)\C)[C@]2(C)[C@@H](CC(=O)OC)[C@@]3(C)[C@H](O[C@@H]4C[C@H](C(=C34)C)c5cocc5)[C@@H]6OC[C@@]1(C)[C@@H]26

InChI

InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23-,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1/i4D3

IUPAC

[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-14-(2,2,2-trideuterioacetyl)oxy-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

Unlabelled CAS Number

992-20-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat