Digitonin, Thermo Scientific Chemicals

Description

CAS: 11024-24-1 | C56H92O29 | 1229.32 g/mol

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

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: 240.0°C
• Ignition Residue: 0.3% max
• Packaging: Glass bottle
• Quantity: 500 mg
• Merck Index: 15,318
• Specific Rotation Condition: −54.00 (20.00°C c=3,in methanol)
• Specific Rotation: − 54.00
• Solubility Information: Solubility in water: insoluble. Other solubilities: practically insoluble in chloroform and ether,1gr dissolves in 57mL abs. alcohol,in 220mL 95%,alcohol
• Formula Weight: 1229.33
• Chemical Name or Material: Digitonin, Approx. 50% (TLC)

Safety and Handling

Hazard Category	GHS Signal Word: Danger
Hazard Statement	GHS H Statement Toxic if inhaled. Toxic in contact with skin. Toxic if swallowed.
Precautionary Statement	GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. Call a POISON CENTER or doctor/physician if you feel unwell. IF ON SKIN: Gently wash with plenty of soap and water. Immediately call a POISON
EINECSNumber	234-255-6
RTECSNumber	IH2050050
TSCA	TSCA

SDS

RUO – Research Use Only