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(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-Heptakis(Acetoxymethyl)-2,4,7,9,12,14,17,19 ,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]Nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-Tetradecayl Tetradecaacetate
[CAS# 23739-88-0]

Identification
Classification Biochemical >> Carbohydrate >> Oligosaccharide
Name (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-Heptakis(Acetoxymethyl)-2,4,7,9,12,14,17,19 ,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]Nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-Tetradecayl Tetradecaacetate
Synonyms β-Cyclodextrin heneicosaacetate
Molecular Structure CAS#: 23739-88-0, (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-Heptakis(Acetoxymethyl)-2,4,7,9,12,14,17,19 ,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.2<Sup>3,6</Sup>.2<Sup>8,11</Sup>.2<Sup>13,16</Sup>.2<Sup>18,21</Sup>.2<Sup>23,26</Sup>.2<Sup>28,31</Sup>]Nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-Tetradecayl Tetradecaacetate
Molecular Formula C84H112O56
Molecular Weight 2017.75
CAS Registry Number 23739-88-0
SMILES O=C(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1O[C@H]8O[C@H](COC(=O)C)[C@@H](O[C@H]7O[C@H](COC(=O)C)[C@@H](O[C@H]6O[C@H](COC(=O)C)[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(C)=O)[C@H]6OC(C)=O)[C@H](OC(C)=O)[C@H]7OC(C)=O)[C@H](OC(C)=O)[C@H]8OC(C)=O
InChI 1S/C84H112O56/c1-29(85)106-22-50-57-64(113-36(8)92)71(120-43(15)99)78(127-50)135-58-51(23-107-30(2)86)129-80(73(122-45(17)101)65(58)114-37(9)93)137-60-53(25-109-32(4)88)131-82(75(124-47(19)103)67(60)116-39(11)95)139-62-55(27-111-34(6)90)133-84(77(126-49(21)105)69(62)118-41(13)97)140-63-56(28-112-35(7)91)132-83(76(125-48(20)104)70(63)119-42(14)98)138-61-54(26-110-33(5)89)130-81(74(123-46(18)102)68(61)117-40(12)96)136-59-52(24-108-31(3)87)128-79(134-57)72(121-44(16)100)66(59)115-38(10)94/h50-84H,22-28H2,1-21H3/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-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1
InChIKey NOPKOJDDVCBPTP-XEHVGNMASA-N
Properties
Density 1.46g/cm3 (Cal.)
Boiling point 1361.849°C at 760 mmHg (Cal.)
Flash point 444.755°C (Cal.)
Refractive index 1.545 (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-Heptakis(Acetoxymethyl)-2,4,7,9,12,14,17,19 ,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]Nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-Tetradecayl Tetradecaacetate
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