Hydroxydocosanoic Acid Sophoroside
[CAS# 20246-59-7]

Identification

• Name: Hydroxydocosanoic Acid Sophoroside
• Synonyms: 13-[(2R,3R,4S,5S,6R)-6-(Acetoxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxydocosanoic Acid; 13-[[(2R,3R,4S,5S,6R)-6-(Acetoxymethyl)-3-[[(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-2-Tetrahydropyranyl]Oxy]Docosanoic Acid; 13-[(2R,3R,4S,5S,6R)-6-(Acetoxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(Acetoxymethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxybehenic Acid
• Molecular Formula: C₃₈H₆₈O₁₅
• Molecular Weight: 764.95
• CAS Registry Number: 20246-59-7
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@@H]1O)O)COC(=O)C)OC(CCCCCCCCC)CCCCCCCCCCCC(=O)O)O[C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)COC(=O)C)O)O
• InChI: 1S/C38H68O15/c1-4-5-6-7-11-14-17-20-27(21-18-15-12-9-8-10-13-16-19-22-30(41)42)50-38-36(34(46)32(44)29(52-38)24-49-26(3)40)53-37-35(47)33(45)31(43)28(51-37)23-48-25(2)39/h27-29,31-38,43-47H,4-24H2,1-3H3,(H,41,42)/t27?,28-,29-,31-,32-,33+,34+,35-,36-,37+,38-/m1/s1
• InChIKey: LGIFCELMJBBHMO-SGQFWHNCSA-N