Lanatoside E
[CAS# 20460-30-4]

Identification

• Name: Lanatoside E
• Synonyms: [(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-Formyloxy-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]-4-[(2R,4S,5R,6R)-5-Hydroxy-6-Methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl] Acetate; Acetic Acid [(2R,3R,4S,6R)-6-[[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-Formyloxy-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]-4-[[(2R,4S,5R,6R)-5-Hydroxy-6-Methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-Methyl-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl] Ester; Acetic Acid [(2R,3R,4S,6R)-6-[(2R,3R,4S,6S)-6-[[(3S,5R,8R,9S,10S,13R,16S,17R)-16-Formyloxy-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]-4-[(2R,4S,5R,6R)-5-Hydroxy-6-Methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-Methyl-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₅₀H₇₆O₂₁
• Molecular Weight: 1013.14
• CAS Registry Number: 20460-30-4
• SMILES: [C@H]34C1(O)[C@@]([C@H]([C@@H](OC=O)C1)C2=CC(OC2)=O)(CC[C@@H]3[C@@]9([C@H](CC4)C[C@@H](O[C@H]8O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O)[C@@H](OC(=O)C)C5)C)[C@@H](O[C@H]7O[C@@H]([C@@H](O)[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C7)C)C8)C)CC9)C)C
• InChI: 1S/C50H76O21/c1-22-41(55)31(66-25(4)53)15-39(64-22)71-46-24(3)65-37(17-33(46)68-38-16-32(42(56)23(2)63-38)69-47-45(59)44(58)43(57)35(19-51)70-47)67-28-9-11-48(5)27(14-28)7-8-30-29(48)10-12-49(6)40(26-13-36(54)61-20-26)34(62-21-52)18-50(30,49)60/h13,21-24,27-35,37-47,51,55-60H,7-12,14-20H2,1-6H3/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-,50?/m1/s1
• InChIKey: ICEVACCZVSWGIL-RIHNEJIDSA-N

Properties

• Density: 1.419g/cm³ (Cal.)