Analyte Name

Emodepside-d6

Molecular Formula

C60 D6 H84 N6 O14

Molecular Weight

1125.425

Accurate Mass

1124.689

SMILES

[2H]C([2H])([2H])N1[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccc(cc2)N3CCOCC3)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C)C(=O)N([C@@H](CC(C)C)C(=O)O[C@H](Cc4ccc(cc4)N5CCOCC5)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C1=O)C([2H])([2H])[2H]

InChI

InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47-,48+,49+,50+,51-,52-/m1/s1/i11D3,12D3

IUPAC

(3R,6R,9S,12R,15S,18R,21S,24R)-4,12,16,24-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-6,18-bis[(4-morpholin-4-ylphenyl)methyl]-10,22-bis(trideuteriomethyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone

Unlabelled CAS Number

155030-63-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat