Analyte Name

D-(+)-Raffinose-13C6

Molecular Formula

13C6 C12 H32 O16

Molecular Weight

510.393

Accurate Mass

510.189

SMILES

O[13CH2][13C@H]1O[13C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[13C@H](O)[13C@@H](O)[13C@H]1O

InChI

InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1/i1+1,5+1,8+1,11+1,13+1,16+1

IUPAC

(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxane-3,4,5-triol

Unlabelled CAS Number

512-69-6

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat