| SpectraBase Compound ID | AFnvB3X5uyc |
|---|---|
| InChI | InChI=1S/C84H73ClO25/c1-95-82-72(107-80(93)59-43-25-9-26-44-59)69(105-78(91)57-39-21-7-22-40-57)67(63(100-82)51-99-75(88)54-33-15-4-16-34-54)109-84-73(108-81(94)60-45-27-10-28-46-60)70(66(61(101-84)49-96-64(86)47-85)104-77(90)56-37-19-6-20-38-56)110-83-71(106-79(92)58-41-23-8-24-42-58)68(97-48-52-29-11-2-12-30-52)65(103-76(89)55-35-17-5-18-36-55)62(102-83)50-98-74(87)53-31-13-3-14-32-53/h2-46,61-63,65-73,82-84H,47-51H2,1H3/t61-,62-,63-,65+,66+,67-,68+,69+,70+,71-,72+,73-,82+,83+,84+/m1/s1 |
| InChIKey | JYTNVWNDQJFOLG-NPNUXZHJSA-N |
| Mol Weight | 1517.9 g/mol |
| Molecular Formula | C84H73ClO25 |
| Exact Mass | 1516.412946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcqnNEcoxM1 |
|---|---|
| Name | METHYL-2,4,6-TRI-O-BENZOYL-3-O-BENZYL-BETA-D-GALACTOPYRANOSYL-(1->3)-2,4-DI-O-BENZOYL-6-O-CHLOROACETYL-BETA-D-GALACTOPYRANOSYL-(1->4) |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H73ClO25 |
| InChI | InChI=1S/C84H73ClO25/c1-95-82-72(107-80(93)59-43-25-9-26-44-59)69(105-78(91)57-39-21-7-22-40-57)67(63(100-82)51-99-75(88)54-33-15-4-16-34-54)109-84-73(108-81(94)60-45-27-10-28-46-60)70(66(61(101-84)49-96-64(86)47-85)104-77(90)56-37-19-6-20-38-56)110-83-71(106-79(92)58-41-23-8-24-42-58)68(97-48-52-29-11-2-12-30-52)65(103-76(89)55-35-17-5-18-36-55)62(102-83)50-98-74(87)53-31-13-3-14-32-53/h2-46,61-63,65-73,82-84H,47-51H2,1H3/t61-,62-,63-,65+,66+,67-,68+,69+,70+,71-,72+,73-,82+,83+,84+/m1/s1 |
| InChIKey | JYTNVWNDQJFOLG-NPNUXZHJSA-N |
| Literature Reference Author | A.V.NIKOLAEV,G.M.WATT,M.A.J.FERGUSON,J.S.BRIMACOMBE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,969(1997) |
| Literature Reference DOI | 10.1039/a603800j |
| Molecular Weight | 1517.942 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9786 |