Digoxin O-Tetra-acetate

CAS: 67467-55-4

Ref. TR-D486670

Produktinformation

• Name: Digoxin O-Tetra-acetate
• Synonyme: [(2R,3R,4S,6R)-3-[(2S,4S,5R,6R)-4-acetyloxy-5-[(2S,4S,5R,6R)-4,5-diacetyloxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-4-yl] acetate
• Marke: TRC
• Beschreibung: Applications Digoxin O-Tetra-acetate is an intermediate used in the synthesis of (3β,5β,12β)-3-[2-[[6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]amino]-2-oxoethoxy]-12,14-dihydroxycard-20(22)-enolide (D486968), which is a digoxin (D446575) cross-linking reagent.

Chemische Eigenschaften

• Molekulargewicht: 991.122
• Formel: C₅₁H₇₄O₁₉
• Farbe/Form: Neat
• InChl: InChI=1S/C51H74O19/c1-24-46(67-31(8)56)38(63-27(4)52)21-44(61-24)69-48-26(3)62-45(22-40(48)65-29(6)54)70-47-25(2)60-43(20-39(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-37(49)19-41(66-30(7)55)50(10)35(14-16-51(36,50)58)32-17-42(57)59-23-32/h17,24-26,33-41,43-48,58H,11-16,18-23H2,1-10H3/t24-,25-,26-,33-,34+,35-,36-,37+,38+,39+,40+,41-,43+,44+,45+,46-,47-,48-,49+,50+,51+/m1/s1
• InChI Key: InChIKey=RSURLHVMZLSPCB-AUTFTWOTSA-N
• SMILES: CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](OC(C)=O)C[C@H](O[C@H]3[C@@H](OC(C)=O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](OC(C)=O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1OC(C)=O