Analyte Name

2-(Benzyloxy)-1-propanol-d6

Molecular Formula

C21 D3 H29 O11

Molecular Weight

463.491

Accurate Mass

463.213

SMILES

[2H]C([2H])([2H])[C@H]1C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)O[C@H](OC(=O)C)[C@@]34OCC[C@H]3[C@H](C)CC[C@@H]14

InChI

InChI=1S/C21H32O11/c1-8-4-5-12-9(2)18(31-19-15(25)13(23)14(24)16(30-19)17(26)27)32-20(29-10(3)22)21(12)11(8)6-7-28-21/h8-9,11-16,18-20,23-25H,4-7H2,1-3H3,(H,26,27)/t8-,9-,11+,12+,13+,14+,15-,16+,18?,19+,20+,21-/m1/s1/i2D3

IUPAC

(2S,3S,4S,5R,6S)-6-[[(3aS,4R,6aS,7R,10R,10aR)-10-acetyloxy-4-methyl-7-(trideuteriomethyl)-2,3,3a,4,5,6,6a,7,8,10-decahydrofuro[3,2-i]isochromen-8-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

70448-03-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat