Dioscin

Analyte Name

Dioscin

CAS Number

19057-60-4

Molecular Formula

C45 H72 O16

Molecular Weight

869.06

Accurate Mass

868.482

SMILES

O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H](O[C@H]3C)[C@@H]([C@H](O)[C@H]3O)O)[C@H](O[C@@H]4CC5=CC[C@@]6([H])[C@@](C7)([H])[C@@](CC[C@]6([H])[C@@]5(C)CC4)(C)[C@]8([H])[C@@]7([H])O[C@@](CC[C@H]9C)(OC9)[C@H]8C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@H]1O

InChI

InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

IUPAC

(2S,2'S,3R,3'R,4R,4'R,5R,5'R,6S,6'S)-6,6'-(((2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(((4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)tetrahydro-2H-pyran-3,5-diyl)bis(oxy))bis(2-methyltetrahydro-2H-pyran-3,4,5-triol)

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

Purity

>95% (HPLC)