Biotinoyl Ouabain
Product Specifications
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](OC(=O)CCCC[C@@H]7SC[C@@H]8NC(=O)N[C@H]78)[C@H](O)[C@H]1O
Molecular Formula
C39 H58 N2 O14 S
Molecular Weight
810.948
InChI
InChI=1S/C39H58N2O14S/c1-18-31(47)32(48)33(55-27(45)6-4-3-5-25-30-23(16-56-25)40-35(49)41-30)34(53-18)54-20-12-26(44)38(17-42)29-22(7-9-37(38,50)13-20)39(51)10-8-21(19-11-28(46)52-15-19)36(39,2)14-24(29)43/h11,18,20-26,29-34,42-44,47-48,50-51H,3-10,12-17H2,1-2H3,(H2,40,41,49)/t18-,20-,21+,22+,23-,24+,25-,26+,29+,30-,31-,32+,33+,34-,36+,37-,38+,39-/m0/s1
Additionnal Information
IUPAC name: [(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl] 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C
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