Analyte Name

Lactosyl Rasagline-13C3

Molecular Formula

13C3 C21 H33 N O10

Molecular Weight

498.498

Accurate Mass

498.221

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)N([13CH2][13C]#[13CH])[C@@H]3CCc4ccccc34)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C24H33NO10/c1-2-9-25(14-8-7-12-5-3-4-6-13(12)14)23-20(31)19(30)22(16(11-27)33-23)35-24-21(32)18(29)17(28)15(10-26)34-24/h1,3-6,14-24,26-32H,7-11H2/t14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24+/m1/s1/i1+1,2+1,9+1

IUPAC

(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(1,2,3-13C3)prop-2-ynylamino]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat