OSW-1, >90%(Orsaponin)

Analyte Name

Orsaponin

CAS Number

145075-81-6

Molecular Formula

C47H68O15

Molecular Weight

873.03

Accurate Mass

872.46

SMILES

C[C@@]12[C@](C[C@@H]([C@]2(O)[C@H](C)C(CCC(C)C)=O)O[C@H]3[C@@H]([C@H]([C@H](CO3)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)OC(C5=CC=C(C=C5)OC)=O)OC(C)=O)([H])[C@@]6([H])[C@]([C@@]7(C(C[C@H](CC7)O)=CC6)C)([H])CC1

InChI

InChI=1S/C47H68O15/c1-24(2)8-15-34(50)25(3)47(55)37(21-33-31-14-11-28-20-29(49)16-18-45(28,5)32(31)17-19-46(33,47)6)60-44-41(59-26(4)48)39(36(52)23-58-44)62-43-40(38(53)35(51)22-57-43)61-42(54)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,49,51-53,55H,8,14-23H2,1-7H3/t25-,29+,31-,32+,33+,35-,36+,37+,38+,39+,40-,41-,43+,44+,45+,46+,47-/m1/s1

IUPAC

(2S,3R,4S,5R)-2-(((2S,3R,4S,5S)-3-acetoxy-2-(((3S,8R,9S,10R,13S,14S,16S,17S)-3,17-dihydroxy-10,13-dimethyl-17-((S)-6-methyl-3-oxoheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)oxy)-5-hydroxytetrahydro-2H-pyran-4-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl 4-methoxybenzoate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat