| SpectraBase Compound ID | 3SE8pzUPjTb |
|---|---|
| InChI | InChI=1S/C57H60F3NO20/c1-33(62)20-27-42(65)72-32-41-46(77-43(66)28-21-34(2)63)47(45(61-56(70)57(58,59)60)54(76-41)75-40-25-23-39(71-4)24-26-40)80-55-51(79-52(68)38-18-12-7-13-19-38)48(73-30-36-14-8-5-9-15-36)49(78-44(67)29-22-35(3)64)50(81-55)53(69)74-31-37-16-10-6-11-17-37/h5-19,23-26,41,45-51,54-55H,20-22,27-32H2,1-4H3,(H,61,70)/t41-,45-,46+,47-,48+,49+,50+,51-,54-,55-/m0/s1 |
| InChIKey | JODOHLXCOAUNKM-WTIZCFNSSA-N |
| Mol Weight | 1136.1 g/mol |
| Molecular Formula | C57H60F3NO20 |
| Exact Mass | 1135.366078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24c9gixXjvI |
|---|---|
| Name | #29;4-METHOXYPHENYL-3-O-(BENZYL-2-O-BENZOYL-3-O-BENZYL-4-O-LEVULINOYL-BETA-D-GLUCOPYRANOSYLURONATE)-2-DEOXY-4,6-DI-O-LEVULINOYL-2-TRIFLUOROACETAMIDO-BETA-D-GAL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H60F3NO20 |
| InChI | InChI=1S/C57H60F3NO20/c1-33(62)20-27-42(65)72-32-41-46(77-43(66)28-21-34(2)63)47(45(61-56(70)57(58,59)60)54(76-41)75-40-25-23-39(71-4)24-26-40)80-55-51(79-52(68)38-18-12-7-13-19-38)48(73-30-36-14-8-5-9-15-36)49(78-44(67)29-22-35(3)64)50(81-55)53(69)74-31-37-16-10-6-11-17-37/h5-19,23-26,41,45-51,54-55H,20-22,27-32H2,1-4H3,(H,61,70)/t41-,45-,46+,47-,48+,49+,50+,51-,54-,55-/m0/s1 |
| InChIKey | JODOHLXCOAUNKM-WTIZCFNSSA-N |
| Literature Reference Author | G.MACCHIONE,S.MAZA,M.M.KAYSER,J.L.DEPAZ,P.M.NIETO |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2014,3868(2014) |
| Literature Reference DOI | 10.1002/ejoc.201402222 |
| Molecular Weight | 1136.093 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU85333 |