CS-0531688

(2R,3S,4S,6S)-6-(((2R,3S,4S,6S)-6-(((2R,3S,4S,6R)-6-(((3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate Digoxin Impurity

Manufacturer: ChemScene

CAS Number: 5355-48-6

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₄₃H₆₆O₁₅

Molecular Weight

822.98

Synonyms

β-Acetyl Digoxin

SMILES

O[C@@]12[C@@]3([H])[C@@](C[C@H]([C@@]1([C@](C(CO4)=CC4=O)([H])CC2)C)O)([H])[C@@]5([C@](C[C@H](CC5)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(C)=O)O)O)O)([H])CC3)C

Tpsa

209.13

Logp

2.7889

H Acceptors

15

H Donors

5

Rotatable Bonds

8

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SAFETY INFORMATION

Pictograms

GHS06

Signal Word

Danger

UN Number

2811

Class

6.1

Packing Group

Hazard Statements

H300+H330

Precautionary Statements

P260-P264-P270-P271-P284-P304+P340-P330-P405-P501