Lanatoside A
[CAS# 17575-20-1]

Identification

• Name: Lanatoside A
• Synonyms: [(3R,4S,6S)-6-[(2R,3S,4S,6S)-4-Hydroxy-6-[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-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]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-4-Yl] Acetate; Acetic Acid [(3R,4S,6S)-6-[[(2R,3S,4S,6S)-4-Hydroxy-6-[[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-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]-2-Methyl-3-Tetrahydropyranyl]Oxy]-2-Methyl-3-Tetrahydropyranyl]Oxy]-2-Methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl] Ester; Acetic Acid [(3R,4S,6S)-6-[(2R,3S,4S,6S)-4-Hydroxy-6-[(2R,3S,4S,6R)-4-Hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-2-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₄₉H₇₆O₁₉
• Molecular Weight: 969.13
• CAS Registry Number: 17575-20-1
• EINECS: 241-544-0
• SMILES: [C@H]17[C@@H]([C@@]6([C@H](CC1)C[C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]3OC([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](OC(=O)C)C3)C)[C@@H](O)C4)C)[C@@H](O)C5)C)CC6)C)CC[C@]8([C@]7(O)CC[C@@H]8C9=CC(OC9)=O)C
• InChI: 1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-35,37-46,50,52-53,55-58H,7-14,16-21H2,1-6H3/t22-,23-,24?,27-,28+,29-,30+,31-,32+,33+,34+,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
• InChIKey: YFGQJKBUXPKSAW-OQHPCPMASA-N

Properties

• Density: 1.395g/cm³ (Cal.)