Analyte Name

Purpureaglycoside B

CAS Number

19855-39-1

Molecular Formula

C47 H74 O19

Molecular Weight

943.08

Accurate Mass

942.4824

Flash Point

5

SMILES

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6CC[C@]8(C)[C@H]([C@@H](O)C[C@]78O)C9=CC(=O)OC9)C5

InChI

InChI=1S/C47H74O19/c1-20-41(64-35-15-29(50)42(21(2)60-35)65-36-16-30(51)43(22(3)61-36)66-44-40(56)39(55)38(54)32(18-48)63-44)28(49)14-34(59-20)62-25-8-10-45(4)24(13-25)6-7-27-26(45)9-11-46(5)37(23-12-33(53)58-19-23)31(52)17-47(27,46)57/h12,20-22,24-32,34-44,48-52,54-57H,6-11,13-19H2,1-5H3/t20-,21-,22-,24-,25+,26+,27-,28+,29+,30+,31+,32-,34+,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47+/m1/s1

IUPAC

3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Tariff Code

29389090

Product Format

Neat

API Family

Digitalis Leaf

Analytical Method

Monograph only