(2S,3S,4S,5R,6S)-3,4,5-Triacetoxy-6-((5-(2,5-dimethylphenoxy)-2,2-bis(methyl-d3)pentanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Analyte Name

(2S,3S,4S,5R,6S)-3,4,5-Triacetoxy-6-((5-(2,5-dimethylphenoxy)-2,2-bis(methyl-d3)pentanoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Molecular Formula

C27 D6 H30 O12

Molecular Weight

558.605

Accurate Mass

558.258

SMILES

[2H]C([2H])([2H])C(CCCOc1cc(C)ccc1C)(C(=O)O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C(=O)O)C([2H])([2H])[2H]

InChI

InChI=1S/C27H36O12/c1-14-9-10-15(2)19(13-14)34-12-8-11-27(6,7)26(33)39-25-23(37-18(5)30)21(36-17(4)29)20(35-16(3)28)22(38-25)24(31)32/h9-10,13,20-23,25H,8,11-12H2,1-7H3,(H,31,32)/t20-,21-,22-,23+,25-/m0/s1/i6D3,7D3

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoyl]oxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat