| SpectraBase Compound ID | 1H47c2fiEle |
|---|---|
| InChI | InChI=1S/C46H81N3O34/c47-1-2-48-3-4-49-5-12-33-19(56)26(63)40(70-12)78-34-13(6-50)72-42(28(65)21(34)58)80-36-15(8-52)74-44(30(67)23(36)60)82-38-17(10-54)76-46(32(69)25(38)62)83-39-18(11-55)75-45(31(68)24(39)61)81-37-16(9-53)73-43(29(66)22(37)59)79-35-14(7-51)71-41(77-33)27(64)20(35)57/h12-46,48-69H,1-11,47H2/t12-,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44+,45-,46-/m0/s1 |
| InChIKey | FUVJKMDJYLUFBZ-DTRDMSBFSA-N |
| Mol Weight | 1220.1 g/mol |
| Molecular Formula | C46H81N3O34 |
| Exact Mass | 1219.470147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20INBLZt0qt |
|---|---|
| Name | 6-DEOXY-6-(5-AMINO-3-AZAPENTYLAMINO)-CYCLOMALTOHEPTAOSE;CDDIEN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H81N3O34 |
| InChI | InChI=1S/C46H81N3O34/c47-1-2-48-3-4-49-5-12-33-19(56)26(63)40(70-12)78-34-13(6-50)72-42(28(65)21(34)58)80-36-15(8-52)74-44(30(67)23(36)60)82-38-17(10-54)76-46(32(69)25(38)62)83-39-18(11-55)75-45(31(68)24(39)61)81-37-16(9-53)73-43(29(66)22(37)59)79-35-14(7-51)71-41(77-33)27(64)20(35)57/h12-46,48-69H,1-11,47H2/t12-,13-,14+,15+,16-,17-,18-,19-,20+,21-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44+,45-,46-/m0/s1 |
| InChIKey | FUVJKMDJYLUFBZ-DTRDMSBFSA-N |
| Literature Reference Author | V.CUCINOTTA,F.D'ALESSANDRO,G.IMPELLIZZERI,G.MACCARRONE,E.RIZ ZARELLI,G.VECCHIO |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1785(1996) |
| Literature Reference DOI | 10.1039/p29960001785 |
| Molecular Weight | 1220.149 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ3717 |