![N-[4-(1,3-DIOXACYCLOPENT-2-YL)-BENZYL]-OCTA-O-ACETYLLACTOBIONAMIDE](/api/spectrum/KcIrefheRhR/structure.png?h=300&w=458 "N-[4-(1,3-DIOXACYCLOPENT-2-YL)-BENZYL]-OCTA-O-ACETYLLACTOBIONAMIDE")
| SpectraBase Compound ID | 4sffvjy1aMW |
|---|---|
| InChI | InChI=1S/C38H49NO21/c1-18(40)51-16-28(53-20(3)42)31(60-38-35(58-25(8)47)33(56-23(6)45)30(54-21(4)43)29(59-38)17-52-19(2)41)32(55-22(5)44)34(57-24(7)46)36(48)39-15-26-9-11-27(12-10-26)37-49-13-14-50-37/h9-12,28-35,37-38H,13-17H2,1-8H3,(H,39,48)/t28-,29+,30-,31?,32-,33-,34-,35+,38?/m1/s1 |
| InChIKey | JDKNRHUQAZPJLR-GHLUVOOISA-N |
| Mol Weight | 855.8 g/mol |
| Molecular Formula | C38H49NO21 |
| Exact Mass | 855.279708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcIrefheRhR |
|---|---|
| Name | N-[4-(1,3-DIOXACYCLOPENT-2-YL)-BENZYL]-OCTA-O-ACETYLLACTOBIONAMIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H49NO21 |
| InChI | InChI=1S/C38H49NO21/c1-18(40)51-16-28(53-20(3)42)31(60-38-35(58-25(8)47)33(56-23(6)45)30(54-21(4)43)29(59-38)17-52-19(2)41)32(55-22(5)44)34(57-24(7)46)36(48)39-15-26-9-11-27(12-10-26)37-49-13-14-50-37/h9-12,28-35,37-38H,13-17H2,1-8H3,(H,39,48)/t28-,29+,30-,31?,32-,33-,34-,35+,38?/m1/s1 |
| InChIKey | JDKNRHUQAZPJLR-GHLUVOOISA-N |
| Literature Reference Author | O.OUARI,F.CHALIER,R.BONALY,B.PUCCI,P.TORDO |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,2299(1998) |
| Literature Reference DOI | 10.1039/a802785d |
| Molecular Weight | 855.801 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU10186 |