![PER-6-[(2-METHOXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN](/api/spectrum/8raEqbuDR5x/structure.png?h=300&w=458 "PER-6-[(2-METHOXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN")
| SpectraBase Compound ID | 7AV08m2DDUa |
|---|---|
| InChI | InChI=1S/C63H119N7O35/c1-85-15-8-64-22-29-50-36(71)43(78)57(92-29)100-51-30(23-65-9-16-86-2)94-59(45(80)38(51)73)102-53-32(25-67-11-18-88-4)96-61(47(82)40(53)75)104-55-34(27-69-13-20-90-6)98-63(49(84)42(55)77)105-56-35(28-70-14-21-91-7)97-62(48(83)41(56)76)103-54-33(26-68-12-19-89-5)95-60(46(81)39(54)74)101-52-31(24-66-10-17-87-3)93-58(99-50)44(79)37(52)72/h29-84H,8-28H2,1-7H3/t29-,30-,31-,32-,33-,34-,35+,36-,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+/m0/s1 |
| InChIKey | KDKNTVXQFQUVOT-VIPJSGRTSA-N |
| Mol Weight | 1534.7 g/mol |
| Molecular Formula | C63H119N7O35 |
| Exact Mass | 1533.774709 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8raEqbuDR5x |
|---|---|
| Name | PER-6-[(2-METHOXYETHYL)-AMINO]-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H119N7O35 |
| InChI | InChI=1S/C63H119N7O35/c1-85-15-8-64-22-29-50-36(71)43(78)57(92-29)100-51-30(23-65-9-16-86-2)94-59(45(80)38(51)73)102-53-32(25-67-11-18-88-4)96-61(47(82)40(53)75)104-55-34(27-69-13-20-90-6)98-63(49(84)42(55)77)105-56-35(28-70-14-21-91-7)97-62(48(83)41(56)76)103-54-33(26-68-12-19-89-5)95-60(46(81)39(54)74)101-52-31(24-66-10-17-87-3)93-58(99-50)44(79)37(52)72/h29-84H,8-28H2,1-7H3/t29-,30-,31-,32-,33-,34-,35+,36-,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+/m0/s1 |
| InChIKey | KDKNTVXQFQUVOT-VIPJSGRTSA-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 | 1534.664 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP783 |