Spiramycin I-d3

Analyte Name

Spiramycin I-d3

Molecular Formula

C43 D3 H71 N2 O14

Molecular Weight

846.07

Accurate Mass

845.5328

SMILES

[2H]C([2H])([2H])N(C)[C@H]1CCC(O[C@H]2\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]2C)O[C@@H]1C

InChI

InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25?,26-,27-,28+,29+,30+,31-,32+,34?,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1/i7D3

IUPAC

2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-10-[(5S,6R)-6-methyl-5-[methyl(trideuteriomethyl)amino]tetrahydropyran-2-yl]oxy-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat