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Purpureaglycoside A

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For Research Use Only | Not For Clinical Use
CATAPS19855404
CAS19855-40-4
Structure
SynonymsDesacetyllanatoside A, Deslanoside A, Deacetyllanatoside A, Desacetyldigilanide A, Glucodigitoxin, Purpurea glycoside A,(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide, Digitoxigenin-3 O-β-D-glucopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranoside
IUPAC Name3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-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
Molecular Weight927.08
Molecular FormulaC47H74O18
Canonical SMILESC[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](CC[C@]78O)C9=CC(=O)OC9)C5
InChIInChI=1S/C47H74O18/c1-21-41(63-36-17-31(50)42(22(2)59-36)64-37-18-32(51)43(23(3)60-37)65-44-40(55)39(54)38(53)33(19-48)62-44)30(49)16-35(58-21)61-26-8-11-45(4)25(15-26)6-7-29-28(45)9-12-46(5)27(10-13-47(29,46)56)24-14-34(52)57-20-24/h14,21-23,25-33,35-44,48-51,53-56H,6-13,15-20H2,1-5H3/t21-,22-,23-,25-,26+,27-,28+,29-,30+,31+,32+,33-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,45+,46-,47+/m1/s1
Accurate Mass926.4875
API FamilyMatrix - API Family See respective official monograph(s)
FormatNeat
ShippingRoom Temperature
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryEuropean Pharmacopoeia (Ph. Eur.)
TypeAPI
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