| SpectraBase Compound ID | 8gVOGPVvWRP |
|---|---|
| InChI | InChI=1S/C70H126O35/c1-8-15-22-85-29-36-57-43(71)50(78)64(92-36)100-58-37(30-86-23-16-9-2)94-66(52(80)45(58)73)102-60-39(32-88-25-18-11-4)96-68(54(82)47(60)75)104-62-41(34-90-27-20-13-6)98-70(56(84)49(62)77)105-63-42(35-91-28-21-14-7)97-69(55(83)48(63)76)103-61-40(33-89-26-19-12-5)95-67(53(81)46(61)74)101-59-38(31-87-24-17-10-3)93-65(99-57)51(79)44(59)72/h36-84H,8-35H2,1-7H3/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 |
| InChIKey | ZVHKYSUYQPGPGA-PYSJCEESSA-N |
| Mol Weight | 1527.7 g/mol |
| Molecular Formula | C70H126O35 |
| Exact Mass | 1526.807966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GaRtV5V7CF9 |
|---|---|
| Name | HEPTAKIS-(6-O-BUTYL)-BETA-CYCLODEXTRIN |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H126O35 |
| InChI | InChI=1S/C70H126O35/c1-8-15-22-85-29-36-57-43(71)50(78)64(92-36)100-58-37(30-86-23-16-9-2)94-66(52(80)45(58)73)102-60-39(32-88-25-18-11-4)96-68(54(82)47(60)75)104-62-41(34-90-27-20-13-6)98-70(56(84)49(62)77)105-63-42(35-91-28-21-14-7)97-69(55(83)48(63)76)103-61-40(33-89-26-19-12-5)95-67(53(81)46(61)74)101-59-38(31-87-24-17-10-3)93-65(99-57)51(79)44(59)72/h36-84H,8-35H2,1-7H3/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-/m0/s1 |
| InChIKey | ZVHKYSUYQPGPGA-PYSJCEESSA-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 | 1527.749 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3503 |