Dodecyl laminarapentaoside peracetate
[CAS# 158041-98-6]

Identification

• Name: Dodecyl laminarapentaoside peracetate
• Synonyms: [(2S,3R,4S,5R,6R)-5-Acetoxy-6-(Acetoxymethyl)-2-[(2R,3R,4S,5R,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-[(2R,3R,4S,5R,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-Dodecoxy-Tetrahydropyran-4-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-4-[(2S,3R,4S,5R,6R)-3,5-Diacetoxy-6-(Acetoxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2S,3R,4S,5R,6R)-5-Acetoxy-6-(Acetoxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-Dodecoxy-4-Tetrahydropyranyl]Oxy]-4-Tetrahydropyranyl]Oxy]-4-[[(2S,3R,4S,5R,6R)-3,5-Diacetoxy-6-(Acetoxymethyl)-4-[[(2S,3R,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; Acetic Acid [(2S,3R,4S,5R,6R)-5-Acetoxy-6-(Acetoxymethyl)-2-[(2R,3R,4S,5R,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-[(2R,3R,4S,5R,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-Lauryloxy-Tetrahydropyran-4-Yl]Oxy-Tetrahydropyran-4-Yl]Oxy-4-[(2S,3R,4S,5R,6R)-3,5-Diacetoxy-6-(Acetoxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₇₄H₁₀₈O₄₂
• Molecular Weight: 1669.64
• CAS Registry Number: 158041-98-6
• SMILES: [C@@H]5(O[C@@H]3O[C@@H]([C@@H](OC(=O)C)[C@H](O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](O[C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)[C@H]2OC(=O)C)COC(=O)C)[C@H]3OC(=O)C)COC(=O)C)[C@@H](OC(=O)C)[C@H](O[C@H]4[C@H](OC(=O)C)[C@H](O[C@H](OCCCCCCCCCCCC)[C@@H]4OC(=O)C)COC(=O)C)O[C@@H]([C@H]5OC(=O)C)COC(=O)C
• InChI: 1S/C74H108O42/c1-18-19-20-21-22-23-24-25-26-27-28-91-70-65(103-45(13)86)61(56(98-40(8)81)50(108-70)29-92-34(2)75)113-72-67(105-47(15)88)63(58(100-42(10)83)52(110-72)31-94-36(4)77)115-74-69(107-49(17)90)64(59(101-43(11)84)54(112-74)33-96-38(6)79)116-73-68(106-48(16)89)62(57(99-41(9)82)53(111-73)32-95-37(5)78)114-71-66(104-46(14)87)60(102-44(12)85)55(97-39(7)80)51(109-71)30-93-35(3)76/h50-74H,18-33H2,1-17H3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+/m1/s1
• InChIKey: NWAPCYCMPJBSJV-OTUNSULMSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 1194.466°C at 760 mmHg (Cal.)
• Flash point: 405.602°C (Cal.)