(22R)-3beta-(beta-D-Glucopyranosyloxy)-2beta,14,20,22-Tetrahydroxy-5beta-Cholest-7-En-6-One
[CAS# 20117-33-3]

Identification

• Name: (22R)-3beta-(beta-D-Glucopyranosyloxy)-2beta,14,20,22-Tetrahydroxy-5beta-Cholest-7-En-6-One
• Synonyms: (2S,3R,5R,9R,10R,13R,17S)-17-[(1R,2R)-1,2-Dihydroxy-1,5-Dimethyl-Hexyl]-2,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,17S)-17-[(1R,2R)-1,2-Dihydroxy-1,5-Dimethylhexyl]-2,14-Dihydroxy-10,13-Dimethyl-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,17S)-17-[(1R,2R)-1,2-Dihydroxy-1,5-Dimethyl-Hexyl]-2,14-Dihydroxy-10,13-Dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₃₃H₅₄O₁₁
• Molecular Weight: 626.78
• CAS Registry Number: 20117-33-3
• SMILES: [C@]25(C(O)(C1=CC(=O)[C@H]4[C@@]([C@H]1CC2)(C[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C4)C)CC[C@@H]5[C@@](O)([C@H](O)CCC(C)C)C)C
• InChI: 1S/C33H54O11/c1-16(2)6-7-25(37)32(5,41)24-9-11-33(42)18-12-20(35)19-13-22(43-29-28(40)27(39)26(38)23(15-34)44-29)21(36)14-30(19,3)17(18)8-10-31(24,33)4/h12,16-17,19,21-29,34,36-42H,6-11,13-15H2,1-5H3/t17-,19-,21-,22+,23+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33?/m0/s1
• InChIKey: CNAKQRUFJWYXIC-LGMFDOEDSA-N

Properties

• Density: 1.356g/cm³ (Cal.)
• Boiling point: 824.791°C at 760 mmHg (Cal.)
• Flash point: 257.569°C (Cal.)