![HEPTAKIS-[2,3-DI-O-(2-HYDROXYETHYL)-6-O-BUTYL]-BETA-CYCLODEXTRIN](/api/spectrum/2KvYRmFBFip/structure.png?h=300&w=458 "HEPTAKIS-[2,3-DI-O-(2-HYDROXYETHYL)-6-O-BUTYL]-BETA-CYCLODEXTRIN")
| SpectraBase Compound ID | 1KsXqWwaI5D |
|---|---|
| InChI | InChI=1S/C98H182O49/c1-8-15-36-113-57-64-71-78(120-43-22-99)85(127-50-29-106)92(134-64)142-72-65(58-114-37-16-9-2)136-94(87(129-52-31-108)79(72)121-44-23-100)144-74-67(60-116-39-18-11-4)138-96(89(131-54-33-110)81(74)123-46-25-102)146-76-69(62-118-41-20-13-6)140-98(91(133-56-35-112)83(76)125-48-27-104)147-77-70(63-119-42-21-14-7)139-97(90(132-55-34-111)84(77)126-49-28-105)145-75-68(61-117-40-19-12-5)137-95(88(130-53-32-109)82(75)124-47-26-103)143-73-66(59-115-38-17-10-3)135-93(141-71)86(128-51-30-107)80(73)122-45-24-101/h64-112H,8-63H2,1-7H3/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 | UKEZPWKLFWVCGH-OPCQOFJUSA-N |
| Mol Weight | 2144.5 g/mol |
| Molecular Formula | C98H182O49 |
| Exact Mass | 2143.174972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KvYRmFBFip |
|---|---|
| Name | HEPTAKIS-[2,3-DI-O-(2-HYDROXYETHYL)-6-O-BUTYL]-BETA-CYCLODEXTRIN |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C98H182O49 |
| InChI | InChI=1S/C98H182O49/c1-8-15-36-113-57-64-71-78(120-43-22-99)85(127-50-29-106)92(134-64)142-72-65(58-114-37-16-9-2)136-94(87(129-52-31-108)79(72)121-44-23-100)144-74-67(60-116-39-18-11-4)138-96(89(131-54-33-110)81(74)123-46-25-102)146-76-69(62-118-41-20-13-6)140-98(91(133-56-35-112)83(76)125-48-27-104)147-77-70(63-119-42-21-14-7)139-97(90(132-55-34-111)84(77)126-49-28-105)145-75-68(61-117-40-19-12-5)137-95(88(130-53-32-109)82(75)124-47-26-103)143-73-66(59-115-38-17-10-3)135-93(141-71)86(128-51-30-107)80(73)122-45-24-101/h64-112H,8-63H2,1-7H3/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 | UKEZPWKLFWVCGH-OPCQOFJUSA-N |
| Literature Reference Author | T.KRAUS,M.BUDESINSKY,J.ZAVADA |
| Literature Reference Citation | J.ORG.CHEM.,66,4595(2001) |
| Literature Reference DOI | 10.1021/jo010046q |
| Molecular Weight | 2144.494 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS28046 |