![N,N'-BIS-[4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-OXY)-(E)-BENZENEPROPANYL]-1,4-BUTANEDIAMINE](/api/spectrum/J7F6qJf2OiI/structure.png?h=300&w=458 "N,N'-BIS-[4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-OXY)-(E)-BENZENEPROPANYL]-1,4-BUTANEDIAMINE")
| SpectraBase Compound ID | 2qIcQTFEZm1 |
|---|---|
| InChI | InChI=1S/C50H64N2O22/c1-27(53)63-25-39-43(65-29(3)55)45(67-31(5)57)47(69-33(7)59)49(73-39)71-37-17-11-35(12-18-37)15-21-41(61)51-23-9-10-24-52-42(62)22-16-36-13-19-38(20-14-36)72-50-48(70-34(8)60)46(68-32(6)58)44(66-30(4)56)40(74-50)26-64-28(2)54/h11-14,17-20,39-40,43-50H,9-10,15-16,21-26H2,1-8H3,(H,51,61)(H,52,62)/t39-,40+,43+,44-,45+,46-,47-,48+,49-,50+ |
| InChIKey | MYRFFGOKLADBAF-HSOVTVQCSA-N |
| Mol Weight | 1045.1 g/mol |
| Molecular Formula | C50H64N2O22 |
| Exact Mass | 1044.395072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J7F6qJf2OiI |
|---|---|
| Name | N,N'-BIS-[4-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-OXY)-(E)-BENZENEPROPANYL]-1,4-BUTANEDIAMINE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H64N2O22 |
| InChI | InChI=1S/C50H64N2O22/c1-27(53)63-25-39-43(65-29(3)55)45(67-31(5)57)47(69-33(7)59)49(73-39)71-37-17-11-35(12-18-37)15-21-41(61)51-23-9-10-24-52-42(62)22-16-36-13-19-38(20-14-36)72-50-48(70-34(8)60)46(68-32(6)58)44(66-30(4)56)40(74-50)26-64-28(2)54/h11-14,17-20,39-40,43-50H,9-10,15-16,21-26H2,1-8H3,(H,51,61)(H,52,62)/t39-,40+,43+,44-,45+,46-,47-,48+,49-,50+ |
| InChIKey | MYRFFGOKLADBAF-HSOVTVQCSA-N |
| Literature Reference Author | R.C.FIGUEIREDO,N.B.MEYER,M.A.F.PRADO,R.J.ALVES,J.ROJO |
| Literature Reference Citation | QUIM.NOVA,32,2128(2009) |
| Literature Reference DOI | 10.1590/s0100-40422009000800026 |
| Molecular Weight | 1045.058 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12006 |