| SpectraBase Compound ID | A57klSmCVdE |
|---|---|
| InChI | InChI=1S/C91H119N7O28/c99-64-71(106)85-113-57(43-92-36-50-22-8-1-9-23-50)78(64)120-86-72(107)65(100)80(59(114-86)45-94-38-52-26-12-3-13-27-52)122-88-74(109)67(102)82(61(116-88)47-96-40-54-30-16-5-17-31-54)124-90-76(111)69(104)84(63(118-90)49-98-42-56-34-20-7-21-35-56)126-91-77(112)70(105)83(62(119-91)48-97-41-55-32-18-6-19-33-55)125-89-75(110)68(103)81(60(117-89)46-95-39-53-28-14-4-15-29-53)123-87-73(108)66(101)79(121-85)58(115-87)44-93-37-51-24-10-2-11-25-51/h1-35,57-112H,36-49H2/t57-,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-,85+,86+,87+,88+,89+,90+,91+/m0/s1 |
| InChIKey | NLYMSOCZRZKKRF-KMFGONEOSA-N |
| Mol Weight | 1759.0 g/mol |
| Molecular Formula | C91H119N7O28 |
| Exact Mass | 1757.810306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJUhHght9CS |
|---|---|
| Name | PER-6-(BENZYLAMINO)-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 11B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H119N7O28 |
| InChI | InChI=1S/C91H119N7O28/c99-64-71(106)85-113-57(43-92-36-50-22-8-1-9-23-50)78(64)120-86-72(107)65(100)80(59(114-86)45-94-38-52-26-12-3-13-27-52)122-88-74(109)67(102)82(61(116-88)47-96-40-54-30-16-5-17-31-54)124-90-76(111)69(104)84(63(118-90)49-98-42-56-34-20-7-21-35-56)126-91-77(112)70(105)83(62(119-91)48-97-41-55-32-18-6-19-33-55)125-89-75(110)68(103)81(60(117-89)46-95-39-53-28-14-4-15-29-53)123-87-73(108)66(101)79(121-85)58(115-87)44-93-37-51-24-10-2-11-25-51/h1-35,57-112H,36-49H2/t57-,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-,85+,86+,87+,88+,89+,90+,91+/m0/s1 |
| InChIKey | NLYMSOCZRZKKRF-KMFGONEOSA-N |
| Literature Reference Author | D.VIZITIU,C.S.WALKINSHAW,B.I.GORIN,G.R.J.THATCHER |
| Literature Reference Citation | J.ORG.CHEM.,62,8760(1997) |
| Literature Reference DOI | 10.1021/jo9711549 |
| Molecular Weight | 1758.976 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP786 |