2-(2-(2-(((3beta)-Cholest-5-en-3-yl)oxy)ethoxy)ethoxy)ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
[CAS# 129706-54-3]

Identification

• Name: 2-(2-(2-(((3beta)-Cholest-5-en-3-yl)oxy)ethoxy)ethoxy)ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
• Synonyms: (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethoxy]Ethoxy]Ethoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethoxy]Ethoxy]Ethoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[2-[2-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]Ethoxy]Ethoxy]Ethoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₅H₇₈O₁₄
• Molecular Weight: 843.10
• CAS Registry Number: 129706-54-3
• SMILES: [C@]16([C@H](CCC1C2C([C@@]5(C(=CC2)C[C@@H](OCCOCCOCCO[C@@H]4O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]4O)CO)CC5)C)CC6)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C45H78O14/c1-26(2)7-6-8-27(3)31-11-12-32-30-10-9-28-23-29(13-15-44(28,4)33(30)14-16-45(31,32)5)55-21-19-53-17-18-54-20-22-56-42-40(52)38(50)41(35(25-47)58-42)59-43-39(51)37(49)36(48)34(24-46)57-43/h9,26-27,29-43,46-52H,6-8,10-25H2,1-5H3/t27-,29+,30?,31-,32?,33?,34-,35-,36-,37+,38-,39-,40-,41-,42-,43-,44+,45-/m1/s1
• InChIKey: HHPGZDNGIQXYNK-CTHZYMGMSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 906.791°C at 760 mmHg (Cal.)
• Flash point: 502.209°C (Cal.)