Digitoxigenin

Catalog	DGS143624
CAS	143-62-4
Structure
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
Molecular Weight	374.51
Molecular Formula	C23H34O4
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.)
Purity	≥97%
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