| SpectraBase Compound ID | GXJEgU7bRVV |
|---|---|
| InChI | InChI=1S/C84H154O35/c1-8-15-22-29-36-99-71-57(92)64-50(43-85)106-78(71)113-65-51(44-86)107-80(72(58(65)93)100-37-30-23-16-9-2)115-67-53(46-88)109-82(74(60(67)95)102-39-32-25-18-11-4)117-69-55(48-90)111-84(76(62(69)97)104-41-34-27-20-13-6)119-70-56(49-91)112-83(77(63(70)98)105-42-35-28-21-14-7)118-68-54(47-89)110-81(75(61(68)96)103-40-33-26-19-12-5)116-66-52(45-87)108-79(114-64)73(59(66)94)101-38-31-24-17-10-3/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-/m1/s1 |
| InChIKey | HAMVMSXMQSNOJF-GLDCGIRCSA-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 | 6zIRdiA0FLk |
|---|---|
| Name | HEPTAKIS-(2-O-HEXYL)-BETA-CYCLODEXTRIN |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H154O35 |
| InChI | InChI=1S/C84H154O35/c1-8-15-22-29-36-99-71-57(92)64-50(43-85)106-78(71)113-65-51(44-86)107-80(72(58(65)93)100-37-30-23-16-9-2)115-67-53(46-88)109-82(74(60(67)95)102-39-32-25-18-11-4)117-69-55(48-90)111-84(76(62(69)97)104-41-34-27-20-13-6)119-70-56(49-91)112-83(77(63(70)98)105-42-35-28-21-14-7)118-68-54(47-89)110-81(75(61(68)96)103-40-33-26-19-12-5)116-66-52(45-87)108-79(114-64)73(59(66)94)101-38-31-24-17-10-3/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-/m1/s1 |
| InChIKey | HAMVMSXMQSNOJF-GLDCGIRCSA-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 | UWMZ3499 |