Verbascoside-13C3

Analyte Name

Verbascoside-13C3

Molecular Formula

13C3 C26 H36 O15

Molecular Weight

627.565

Accurate Mass

627.215

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2O[13C](=O)\[13CH]=[13CH]\c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@@H]1O

InChI

InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22+,23+,24+,25-,26+,27+,28+,29-/m0/s1/i4+1,7+1,21+1

IUPAC

[(2R,3R,4R,5S,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)(1,2,3-13C3)prop-2-enoate

Unlabelled CAS Number

61276-17-3

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat