![HEPTAKIS-[2,3,6-TRI-O-(2-HYDROXYETHYL)]-BETA-CYCLODEXTRIN](/api/spectrum/5mh2roAWtKd/structure.png?h=300&w=458 "HEPTAKIS-[2,3,6-TRI-O-(2-HYDROXYETHYL)]-BETA-CYCLODEXTRIN")
| SpectraBase Compound ID | 2XqQCmDw7XI |
|---|---|
| InChI | InChI=1S/C84H154O56/c85-1-22-106-43-50-57-64(113-29-8-92)71(120-36-15-99)78(127-50)135-58-51(44-107-23-2-86)129-80(73(122-38-17-101)65(58)114-30-9-93)137-60-53(46-109-25-4-88)131-82(75(124-40-19-103)67(60)116-32-11-95)139-62-55(48-111-27-6-90)133-84(77(126-42-21-105)69(62)118-34-13-97)140-63-56(49-112-28-7-91)132-83(76(125-41-20-104)70(63)119-35-14-98)138-61-54(47-110-26-5-89)130-81(74(123-39-18-102)68(61)117-33-12-96)136-59-52(45-108-24-3-87)128-79(134-57)72(121-37-16-100)66(59)115-31-10-94/h50-105H,1-49H2/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 | RCHNJAXFMLFLEY-XEHVGNMASA-N |
| Mol Weight | 2060.1 g/mol |
| Molecular Formula | C84H154O56 |
| Exact Mass | 2058.920274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5mh2roAWtKd |
|---|---|
| Name | HEPTAKIS-[2,3,6-TRI-O-(2-HYDROXYETHYL)]-BETA-CYCLODEXTRIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H154O56 |
| InChI | InChI=1S/C84H154O56/c85-1-22-106-43-50-57-64(113-29-8-92)71(120-36-15-99)78(127-50)135-58-51(44-107-23-2-86)129-80(73(122-38-17-101)65(58)114-30-9-93)137-60-53(46-109-25-4-88)131-82(75(124-40-19-103)67(60)116-32-11-95)139-62-55(48-111-27-6-90)133-84(77(126-42-21-105)69(62)118-34-13-97)140-63-56(49-112-28-7-91)132-83(76(125-41-20-104)70(63)119-35-14-98)138-61-54(47-110-26-5-89)130-81(74(123-39-18-102)68(61)117-33-12-96)136-59-52(45-108-24-3-87)128-79(134-57)72(121-37-16-100)66(59)115-31-10-94/h50-105H,1-49H2/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 | RCHNJAXFMLFLEY-XEHVGNMASA-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 | 2060.113 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS28037 |