![#B5;1,13-BIS-[4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]](/api/spectrum/HV7feJKa9SX/structure.png?h=300&w=458 "#B5;1,13-BIS-[4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL]")
| SpectraBase Compound ID | Fa6gZLuc7z0 |
|---|---|
| InChI | InChI=1S/C68H100N10O35/c1-33(79)69-53-61(104-43(11)89)59(112-67-55(71-35(3)81)63(106-45(13)91)57(102-41(9)87)49(110-67)29-96-37(5)83)51(31-98-39(7)85)108-65(53)100-27-47-25-77(75-73-47)17-15-19-93-21-23-95-24-22-94-20-16-18-78-26-48(74-76-78)28-101-66-54(70-34(2)80)62(105-44(12)90)60(52(109-66)32-99-40(8)86)113-68-56(72-36(4)82)64(107-46(14)92)58(103-42(10)88)50(111-68)30-97-38(6)84/h25-26,49-68H,15-24,27-32H2,1-14H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+/m1/s1 |
| InChIKey | DWAUQIXSYOSDMC-VNCZUDRVSA-N |
| Mol Weight | 1617.6 g/mol |
| Molecular Formula | C68H100N10O35 |
| Exact Mass | 1616.635255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HV7feJKa9SX |
|---|---|
| Name | #B5;1,13-BIS-[4-[2-ACETAMIDO-3,6-DI-O-ACETYL-2-DEOXY-4-O-(2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL-OXYMETHYL] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H100N10O35 |
| InChI | InChI=1S/C68H100N10O35/c1-33(79)69-53-61(104-43(11)89)59(112-67-55(71-35(3)81)63(106-45(13)91)57(102-41(9)87)49(110-67)29-96-37(5)83)51(31-98-39(7)85)108-65(53)100-27-47-25-77(75-73-47)17-15-19-93-21-23-95-24-22-94-20-16-18-78-26-48(74-76-78)28-101-66-54(70-34(2)80)62(105-44(12)90)60(52(109-66)32-99-40(8)86)113-68-56(72-36(4)82)64(107-46(14)92)58(103-42(10)88)50(111-68)30-97-38(6)84/h25-26,49-68H,15-24,27-32H2,1-14H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67+,68+/m1/s1 |
| InChIKey | DWAUQIXSYOSDMC-VNCZUDRVSA-N |
| Literature Reference Author | H.S.G.BECKMANN,H.M.MOELLER,V.WITTMANN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,819(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.91 |
| Molecular Weight | 1617.588 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR10906 |