Digitoxigenin

• CAS: 143-62-4
• Catalog Number: ACM143624
• Category: Other Products
• Molecular Weight: 374.51
• Molecular Formula: C23H34O4
• Synonyms: Cerberigenin; Echujetin; Thevetigenin
• IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• InChI: InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
• InChI Key: XZTUSOXSLKTKJQ-CESUGQOBSA-N
• Melting Point: 253 °C (lit.)
• Solubility: Soluble in water (partly), alcohol, chloroform, acetone, and ethanol (50 mg/mL)
• Appearance: Powder
• Complexity: 686
• EC Number: 205-603-4
• Exact Mass: 374.24570956
• Formal Charge: 0
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
• MDL Number: MFCD00003687
• Monoisotopic Mass: 374.24570956
• Rotatable Bond Count: 1
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 66.8 Ų