Digitonin, TCI America™

Specifications

Chemical Identifiers

• CAS: 11024-24-1
• Molecular Formula: C56H92O29
• Molecular Weight (g/mol): 1229.32
• MDL Number: MFCD00077729
• InChI Key: UVYVLBIGDKGWPX-QYLWGQLPSA-N
• Synonym: digitonin
• PubChem CID: 102004607
• IUPAC Name: (2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'R,2R,2'S,3'S,4'R,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3',15'-dioloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: C[C@H]1[C@H]2[C@@H](O[C@]11CCC(C)CO1)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]21C

• Melting Point: 240°C
• Color: White-Yellow
• Quantity: 100 mg
• UN Number: 2811
• Formula Weight: 1229.32
• Physical Form: Crystalline Powder
• Chemical Name or Material: Digitonin

Safety and Handling

RTECSNumber	IH2050050
TSCA	Yes