Analyte Name

Benzene-d5-ethanamine Hydrochloride

Molecular Formula

C39 H43 N O17

Molecular Weight

797.755

Accurate Mass

797.253

SMILES

CC(=O)NC1[C@H](Oc2ccc3C(=CC(=O)Oc3c2)C)OC4COC(O[C@@H]4C1O[C@@H]5OC(COC(=O)C)[C@H](OC(=O)C)C(OC(=O)C)C5OC(=O)C)c6ccccc6

InChI

InChI=1S/C39H43NO17/c1-18-14-30(46)53-27-15-25(12-13-26(18)27)52-38-31(40-19(2)41)34(32-29(54-38)17-48-37(56-32)24-10-8-7-9-11-24)57-39-36(51-23(6)45)35(50-22(5)44)33(49-21(4)43)28(55-39)16-47-20(3)42/h7-15,28-29,31-39H,16-17H2,1-6H3,(H,40,41)/t28?,29?,31?,32-,33-,34?,35?,36?,37?,38+,39-/m0/s1

IUPAC

[(3S,6R)-6-[[(6S,8aR)-7-acetamido-6-(4-methyl-2-oxochromen-7-yl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

Alternate CAS Number

Free base: 912627-99-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat