Analyte Name

Steviol-13CD2

Molecular Formula

C19¹³CH28D2O3

Molecular Weight

321.46

Accurate Mass

321.24

SMILES

[H][C@@]12[C@@]3(CC([C@](C3)(O)CC2)=[13C]([2H])[2H])CC[C@]4([H])[C@@](C(O)=O)(C)CCC[C@]41C

InChI

InChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)/t14-,15-,17?,18?,19+,20-/m0/s1/i1+1D2

IUPAC

(4R,4aS,6aR,9S,11aR,11bS)-9-hydroxy-4,11b-dimethyl-8-(methylene-13C-d2)tetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid

Unlabelled CAS Number

471-80-7

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat