Analyte Name

Methyl-(2S,3S,4S,5R,6S)-3,4,5-triacetyl-6-(((19S)-19-ethyl-19-hydroxy-14,18-dioxo-10-(2,2,2-trideuterioethyl)-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.04,9.015,20)henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl)oxy)oxane-2-carboxylate

Molecular Formula

C35 D3 H33 N2 O11

Molecular Weight

663.686

Accurate Mass

663.251

SMILES

[2H]C([2H])([2H])Cc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6C(=O)C)C(=O)C)C(=O)C)C(=O)OC)cc15)[C@@](O)(CC)C(=O)OC4

InChI

InChI=1S/C35H36N2O11/c1-7-19-20-11-18(47-33-28(17(5)40)26(15(3)38)27(16(4)39)30(48-33)32(42)45-6)9-10-24(20)36-29-21(19)13-37-25(29)12-23-22(31(37)41)14-46-34(43)35(23,44)8-2/h9-12,26-28,30,33,44H,7-8,13-14H2,1-6H3/t26-,27-,28+,30-,33+,35-/m0/s1/i1D3

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyl-6-[[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-10-(2,2,2-trideuterioethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl]oxy]oxane-2-carboxylate

Unlabelled CAS Number

121098-77-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat