| SpectraBase Compound ID | 7CEwkjPJVLI |
|---|---|
| InChI | InChI=1S/C84H126O35/c1-15-29-92-43-50-64-57(85)71(99-36-22-8)78(106-50)114-65-51(44-93-30-16-2)108-80(73(58(65)86)101-38-24-10)116-67-53(46-95-32-18-4)110-82(75(60(67)88)103-40-26-12)118-69-55(48-97-34-20-6)112-84(77(62(69)90)105-42-28-14)119-70-56(49-98-35-21-7)111-83(76(63(70)91)104-41-27-13)117-68-54(47-96-33-19-5)109-81(74(61(68)89)102-39-25-11)115-66-52(45-94-31-17-3)107-79(113-64)72(59(66)87)100-37-23-9/h15-28,50-91H,1-14,29-49H2/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 | KKNGOPPZKOTQEK-YFWBOQKCSA-N |
| Mol Weight | 1695.9 g/mol |
| Molecular Formula | C84H126O35 |
| Exact Mass | 1694.807966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KooE86Jdv6W |
|---|---|
| Name | HEPTAKIS-(2,6-DI-O-ALLYL)-BETA-CYCLODEXTRIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H126O35 |
| InChI | InChI=1S/C84H126O35/c1-15-29-92-43-50-64-57(85)71(99-36-22-8)78(106-50)114-65-51(44-93-30-16-2)108-80(73(58(65)86)101-38-24-10)116-67-53(46-95-32-18-4)110-82(75(60(67)88)103-40-26-12)118-69-55(48-97-34-20-6)112-84(77(62(69)90)105-42-28-14)119-70-56(49-98-35-21-7)111-83(76(63(70)91)104-41-27-13)117-68-54(47-96-33-19-5)109-81(74(61(68)89)102-39-25-11)115-66-52(45-94-31-17-3)107-79(113-64)72(59(66)87)100-37-23-9/h15-28,50-91H,1-14,29-49H2/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 | KKNGOPPZKOTQEK-YFWBOQKCSA-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 | 1695.903 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3496 |