[6-[6-[6-[[(3S,5R,8R,10S,13R,14S,16R,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate

Base Information

• Chemical Name: [6-[6-[6-[[(3S,5R,8R,10S,13R,14S,16R,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
• CAS No.: 17575-21-2
• Molecular Formula: C49H76 O20
• Molecular Weight: 985.13
• European Community (EC) Number: 241-545-6
• Mol file: 17575-21-2.mol

Synonyms:Lanatosid B;NSC7535;17575-21-2;5-18-04-00388 (Beilstein Handbook Reference);Card-20(22)-enolide, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.4)-O-3-O-acetyl-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxy-, (3.beta.,5.beta.,16.beta.)-

Chemical Property of [6-[6-[6-[[(3S,5R,8R,10S,13R,14S,16R,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate

Chemical Property:

• Melting Point: 245-248°C
• Refractive Index: 1.7630 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: 12.89±0.70(Predicted)
• Flash Point: °C
• PSA: 288.28000
• Density: 1.42g/cm³
• LogP: 0.61310
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 12
• Exact Mass: 984.49299481
• Heavy Atom Count: 69
• Complexity: 1870

Purity/Quality:

90%,98% ^*data from raw suppliers

Lanatoside B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
• Isomeric SMILES: CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4C3CC[C@]5([C@@]4(C[C@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O
• Uses: Lanatoside B is a novel cardiac glycoside inhibitor acting on sodium-potassium ATPase in vivo.