| SpectraBase Compound ID | C2RejVjFGDN |
|---|---|
| InChI | InChI=1S/C55H47Cl7N2O17/c1-27(65)22-23-33(66)77-42-40(63-47(67)34-35(49(68)69)37(57)39(59)38(58)36(34)56)53(76-32-26-75-52(80-41(32)42)31-20-12-5-13-21-31)81-44-43(73-24-28-14-6-2-7-15-28)45(79-50(70)30-18-10-4-11-19-30)48(64-54(72)55(60,61)62)78-46(44)51(71)74-25-29-16-8-3-9-17-29/h2-21,32,40-46,48,52-53H,22-26H2,1H3,(H,63,67)(H,64,72)(H,68,69)/t32-,40-,41+,42-,43+,44+,45-,46+,48+,52-,53+/m0/s1 |
| InChIKey | KTAYZMCBUQWWPZ-JZVQLWMKSA-N |
| Mol Weight | 1256.1 g/mol |
| Molecular Formula | C55H47Cl7N2O17 |
| Exact Mass | 1252.069442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSgumL2Uapu |
|---|---|
| Name | #13;O-[BENZYL-2-O-BENZOYL-3-O-BENZYL-4-O-(4,6-O-BENZYLIDENE-2-DEOXY-3-O-LEVULINOYL-2-TETRACHLOROPHTHALIMIDO-BETA-D-GALACTOPYRANOSYL)-ALPHA-D-GLUCOPYRANOSYLURON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H47Cl7N2O17 |
| InChI | InChI=1S/C55H47Cl7N2O17/c1-27(65)22-23-33(66)77-42-40(63-47(67)34-35(49(68)69)37(57)39(59)38(58)36(34)56)53(76-32-26-75-52(80-41(32)42)31-20-12-5-13-21-31)81-44-43(73-24-28-14-6-2-7-15-28)45(79-50(70)30-18-10-4-11-19-30)48(64-54(72)55(60,61)62)78-46(44)51(71)74-25-29-16-8-3-9-17-29/h2-21,32,40-46,48,52-53H,22-26H2,1H3,(H,63,67)(H,64,72)(H,68,69)/t32-,40-,41+,42-,43+,44+,45-,46+,48+,52-,53+/m0/s1 |
| InChIKey | KTAYZMCBUQWWPZ-JZVQLWMKSA-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 | 1256.152 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU85322 |