| SpectraBase Compound ID | DfBZkRrOZuF |
|---|---|
| InChI | InChI=1S/C84H154O35/c1-8-15-22-29-36-99-43-50-71-57(85)64(92)78(106-50)114-72-51(44-100-37-30-23-16-9-2)108-80(66(94)59(72)87)116-74-53(46-102-39-32-25-18-11-4)110-82(68(96)61(74)89)118-76-55(48-104-41-34-27-20-13-6)112-84(70(98)63(76)91)119-77-56(49-105-42-35-28-21-14-7)111-83(69(97)62(77)90)117-75-54(47-103-40-33-26-19-12-5)109-81(67(95)60(75)88)115-73-52(45-101-38-31-24-17-10-3)107-79(113-71)65(93)58(73)86/h50-98H,8-49H2,1-7H3/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-/m0/s1 |
| InChIKey | JKFHEOVZPAZVMU-ZSTPCQLQSA-N |
| Mol Weight | 1724.1 g/mol |
| Molecular Formula | C84H154O35 |
| Exact Mass | 1723.027067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaVQ2Yq1k7m |
|---|---|
| Name | HEPTAKIS-(6-O-HEXYL)-BETA-CYCLODEXTRIN |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H154O35 |
| InChI | InChI=1S/C84H154O35/c1-8-15-22-29-36-99-43-50-71-57(85)64(92)78(106-50)114-72-51(44-100-37-30-23-16-9-2)108-80(66(94)59(72)87)116-74-53(46-102-39-32-25-18-11-4)110-82(68(96)61(74)89)118-76-55(48-104-41-34-27-20-13-6)112-84(70(98)63(76)91)119-77-56(49-105-42-35-28-21-14-7)111-83(69(97)62(77)90)117-75-54(47-103-40-33-26-19-12-5)109-81(67(95)60(75)88)115-73-52(45-101-38-31-24-17-10-3)107-79(113-71)65(93)58(73)86/h50-98H,8-49H2,1-7H3/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-/m0/s1 |
| InChIKey | JKFHEOVZPAZVMU-ZSTPCQLQSA-N |
| Literature Reference Author | P.S.BANSAL,C.L.FRANCIS,N.K.HART,S.A.HENDERSON,D.OAKENFULL,A. D.ROBERTSON,G.W.SIMP |
| Literature Reference Citation | AUSTR.J.CHEM.,51,915(1998) |
| Literature Reference DOI | 10.1071/C98064 |
| Molecular Weight | 1724.126 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3501 |