| SpectraBase Compound ID | GebCuo9Ah1E |
|---|---|
| InChI | InChI=1S/C63H119N7O35/c1-64(8-15-71)22-29-50-36(78)43(85)57(92-29)100-51-30(23-65(2)9-16-72)94-59(45(87)38(51)80)102-53-32(25-67(4)11-18-74)96-61(47(89)40(53)82)104-55-34(27-69(6)13-20-76)98-63(49(91)42(55)84)105-56-35(28-70(7)14-21-77)97-62(48(90)41(56)83)103-54-33(26-68(5)12-19-75)95-60(46(88)39(54)81)101-52-31(24-66(3)10-17-73)93-58(99-50)44(86)37(52)79/h29-63,71-91H,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 | GDWUKSDWNHLNQD-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 | 177e67Ns1RK |
|---|---|
| Name | PER-6-(N-METHYL-N-(2-HYDROXYETHYL)-AMINO)-6-DEOXY-BETA-CYClODEXTRIN |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H119N7O35 |
| InChI | InChI=1S/C63H119N7O35/c1-64(8-15-71)22-29-50-36(78)43(85)57(92-29)100-51-30(23-65(2)9-16-72)94-59(45(87)38(51)80)102-53-32(25-67(4)11-18-74)96-61(47(89)40(53)82)104-55-34(27-69(6)13-20-76)98-63(49(91)42(55)84)105-56-35(28-70(7)14-21-77)97-62(48(90)41(56)83)103-54-33(26-68(5)12-19-75)95-60(46(88)39(54)81)101-52-31(24-66(3)10-17-73)93-58(99-50)44(86)37(52)79/h29-63,71-91H,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 | GDWUKSDWNHLNQD-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 | UWSP779 |