Jujuboside B(P)

Analyte Name

Jujuboside B

CAS Number

55466-05-2

Molecular Formula

C52 H84 O21

Molecular Weight

1045.21

Accurate Mass

1044.5505

Appearance/Form

Solid

Flash Point

-20

Color

White

Odor

Odourless

SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]6[C@H]7[C@@](C)(O)C[C@@H](O[C@@]78C[C@@]56CO8)C=C(C)C)C3(C)C)OC[C@H](O)[C@@H]2O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O[C@@H]%10OC[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C52H84O21/c1-22(2)15-24-16-50(8,63)42-25-9-10-30-48(6)13-12-31(47(4,5)29(48)11-14-49(30,7)51(25)20-52(42,73-24)66-21-51)69-45-41(72-44-38(62)35(59)32(56)23(3)67-44)39(27(55)19-65-45)70-46-40(36(60)34(58)28(17-53)68-46)71-43-37(61)33(57)26(54)18-64-43/h15,23-46,53-63H,9-14,16-21H2,1-8H3/t23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Product Format

Neat