Analyte Name

Tylosin-d3

Molecular Formula

C46 H74 D3 N O17

Molecular Weight

919.11857

Accurate Mass

918.538

SMILES

O=C(C[C@@H](O)[C@H](C)[C@@H](O[C@H]1[C@H](O)[C@@H](N(C([2H])([2H])[2H])C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](O)(C)C2)[C@@H](C)O1)[C@@H](CC=O)C[C@H]3C)O[C@H](CC)C(CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)/C=C(C)/C=C/C3=O

InChI

InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1/i9D3

IUPAC

2-[(4R,5S,6S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3-hydroxy-6-methyl-4-[methyl(trideuteriomethyl)amino]tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Unlabelled CAS Number

1401-69-0

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol

API Family

Tylosin