![#19;MAJOR-ISOMER;6-O-[2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-1-O-[(2-CYANOETHOXY)-(2-O-BENZYLOXYCARNBONYL)-3-O-OCTADECYL-SN-GLYCEROL)-PHOSPHON](/api/spectrum/4sMi5jsljf1/structure.png?h=300&w=458 "#19;MAJOR-ISOMER;6-O-[2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-1-O-[(2-CYANOETHOXY)-(2-O-BENZYLOXYCARNBONYL)-3-O-OCTADECYL-SN-GLYCEROL)-PHOSPHON")
| SpectraBase Compound ID | JMfgfx8kLdz |
|---|---|
| InChI | InChI=1S/C95H133N4O18P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-49-65-104-73-82(113-95(102)110-72-81-61-46-35-47-62-81)74-112-118(103,111-66-50-64-96)117-93-91(115-84(100)63-48-28-26-24-22-20-16-14-12-10-8-6-4-2)89(108-70-79-57-42-33-43-58-79)88(107-69-78-55-40-32-41-56-78)90(109-71-80-59-44-34-45-60-80)92(93)116-94-85(98-99-97)87(106-68-77-53-38-31-39-54-77)86(101)83(114-94)75-105-67-76-51-36-30-37-52-76/h30-47,51-62,82-83,85-94,101H,3-29,48-50,63,65-75H2,1-2H3/t82-,83+,85+,86+,87+,88-,89-,90+,91-,92-,93-,94+,118?/m0/s1 |
| InChIKey | YLRPZZGJFREZTG-ZJOQSXDKSA-N |
| Mol Weight | 1650.1 g/mol |
| Molecular Formula | C95H133N4O18P |
| Exact Mass | 1648.93525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sMi5jsljf1 |
|---|---|
| Name | #19;MAJOR-ISOMER;6-O-[2-AZIDO-3,6-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]-1-O-[(2-CYANOETHOXY)-(2-O-BENZYLOXYCARNBONYL)-3-O-OCTADECYL-SN-GLYCEROL)-PHOSPHON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C95H133N4O18P |
| InChI | InChI=1S/C95H133N4O18P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-49-65-104-73-82(113-95(102)110-72-81-61-46-35-47-62-81)74-112-118(103,111-66-50-64-96)117-93-91(115-84(100)63-48-28-26-24-22-20-16-14-12-10-8-6-4-2)89(108-70-79-57-42-33-43-58-79)88(107-69-78-55-40-32-41-56-78)90(109-71-80-59-44-34-45-60-80)92(93)116-94-85(98-99-97)87(106-68-77-53-38-31-39-54-77)86(101)83(114-94)75-105-67-76-51-36-30-37-52-76/h30-47,51-62,82-83,85-94,101H,3-29,48-50,63,65-75H2,1-2H3/t82-,83+,85+,86+,87+,88-,89-,90+,91-,92-,93-,94+,118?/m0/s1 |
| InChIKey | YLRPZZGJFREZTG-ZJOQSXDKSA-N |
| Literature Reference Author | J.XUE,Z.GUO |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,16334(2003) |
| Literature Reference DOI | 10.1021/ja0382157 |
| Molecular Weight | 1650.091 g/mol |
| Sample ID | 52124 |
| Solvent | CDCl3 |