alpha-Cyclodextrin octadecaacetate
[CAS# 23661-37-2]

Identification

• Name: alpha-Cyclodextrin octadecaacetate
• Synonyms: α-Cyclodextrin octadecaacetate
• Molecular Formula: C₇₂H₉₆O₄₈
• Molecular Weight: 1729.50
• CAS Registry Number: 23661-37-2
• SMILES: O=C(O[C@@H]2[C@@H](OC(=O)C)[C@@H]1O[C@H]7O[C@H](COC(=O)C)[C@@H](O[C@H]6O[C@@H]([C@@H](O[C@H]5O[C@H](COC(=O)C)[C@@H](O[C@H]4O[C@H](COC(=O)C)[C@@H](O[C@H]3O[C@H](COC(=O)C)[C@@H](O[C@H]2O[C@@H]1COC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)[C@H](OC(=O)C)[C@H]5OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)COC(=O)C)[C@H](OC(=O)C)[C@H]7OC(=O)C)C
• InChI: 1S/C72H96O48/c1-25(73)91-19-43-49-55(97-31(7)79)61(103-37(13)85)67(109-43)116-50-44(20-92-26(2)74)111-69(63(105-39(15)87)56(50)98-32(8)80)118-52-46(22-94-28(4)76)113-71(65(107-41(17)89)58(52)100-34(10)82)120-54-48(24-96-30(6)78)114-72(66(108-42(18)90)60(54)102-36(12)84)119-53-47(23-95-29(5)77)112-70(64(106-40(16)88)59(53)101-35(11)83)117-51-45(21-93-27(3)75)110-68(115-49)62(104-38(14)86)57(51)99-33(9)81/h43-72H,19-24H2,1-18H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
• InChIKey: WPCDNMKUJVKODC-WLPBKHADSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 1244.7°C at 760 mmHg (Cal.)
• Flash point: 424.2°C (Cal.)
• Refractive index: 1.542 (Cal.)