Nombre del analito

O-[(2-Propen-1-yloxy)carbonyl] Emamectin-D3

Fórmula molecular

C53 D3 H76 N O15

Peso molecular

973.211

Masa exacta

972.564

SMILES

[2H]C([2H])([2H])NC1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](OC(=O)OCC=C)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H]([C@@H](C)CC)[C@@H](C)C=C7)[C@]45O)C

InChI

InChI=1S/C53H79NO15/c1-13-22-60-51(56)67-47-33(7)23-39-50(55)64-38-24-37(68-52(27-38)21-20-32(6)46(69-52)29(3)14-2)19-18-31(5)45(30(4)16-15-17-36-28-61-49(47)53(36,39)57)65-43-26-41(59-12)48(35(9)63-43)66-42-25-40(58-11)44(54-10)34(8)62-42/h13,15-18,20-21,23,29-30,32,34-35,37-49,54,57H,1,14,19,22,24-28H2,2-12H3/b16-15+,31-18+,36-17+/t29-,30-,32-,34-,35-,37+,38-,39-,40-,41-,42-,43-,44?,45-,46+,47+,48-,49+,52+,53+/m0/s1/i10D3

IUPAC

[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-24'-hydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,6S)-4-methoxy-6-methyl-5-(trideuteriomethylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-21'-yl] prop-2-enyl carbonate

Número CAS sin etiquetar

1821212-83-2

Tipo SIL

Deuterium

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat