Analyte Name

Pyrano[3,2-d]-1,3-dioxin, Acetic Acid Deriv. (alpha/beta Mixture)

Molecular Formula

C35 H35 Cl3 O16

Molecular Weight

818.002

Accurate Mass

816.099

SMILES

COc1cc(cc(OC)c1OC(=O)CCl)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](OC(=O)CCl)[C@H]4OC(=O)CCl)c6cc7OCOc7cc26

InChI

InChI=1S/C35H35Cl3O16/c1-14-45-12-23-31(49-14)32(52-25(40)9-37)33(53-26(41)10-38)35(50-23)54-29-17-7-20-19(47-13-48-20)6-16(17)27(28-18(29)11-46-34(28)42)15-4-21(43-2)30(22(5-15)44-3)51-24(39)8-36/h4-7,14,18,23,27-29,31-33,35H,8-13H2,1-3H3/t14-,18+,23-,27-,28+,29-,31-,32+,33-,35?/m1/s1

IUPAC

[4-[(5S,5aR,8aR,9R)-5-[[(2R,4aR,7R,8S,8aR)-7,8-bis[(2-chloroacetyl)oxy]-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenyl] 2-chloroacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat