基本信息 |
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产品名称: | (GLCNACB1-4)6 |
CAS: | 38854-46-5 |
英文同义词: | HEPTAKIS-(2,6-DI-O-N-BUTYL)-BETA-CYCLODEXTRIN ; (GLCNACB1-4)6 ; DIBUTYL BETA-CYCLODEXTRIN ; HEXA-(N-ACETYL) CHITOHEXAOSE |
MDL号: | MFCD05864954 |
氢键受体数量: | 35 |
氢键供体数量: | 7 |
Smile: | CCCCOC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)OCCCC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OCCCC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)OCCCC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)OCCCC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)OCCCC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)OCCCC)COCCCC)COCCCC)COCCCC)COCCCC)COCCCC)COCCCC)OCCCC)O |
InChi: | InChI=1S/C98H182O35/c1-15-29-43-106-57-64-78-71(99)85(113-50-36-22-8)92(120-64)128-79-65(58-107-44-30-16-2)122-94(87(72(79)100)115-52-38-24-10)130-81-67(60-109-46-32-18-4)124-96(89(74(81)102)117-54-40-26-12)132-83-69(62-111-48-34-20-6)126-98(91(76(83)104)119-56-42-28-14)133-84-70(63-112-49-35-21-7)125-97(90(77(84)105)118-55-41-27-13)131-82-68(61-110-47-33-19-5)123-95(88(75(82)103)116-53-39-25-11)129-80-66(59-108-45-31-17-3)121-93(127-78)86(73(80)101)114-51-37-23-9/h64-105H,15-63H2,1-14H3/t64-,65-,66-,67-,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m1/s1 |
InChiKey: | InChIKey=GKQFXZVDFXDHKR-HILFNPEJSA-N |
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