| SpectraBase Compound ID | 3cWW9WZwM5X |
|---|---|
| InChI | InChI=1S/2C46H50Cl3NO16/c2*1-25(51)59-33-31(64-40(66-41(50)46(47,48)49)35(33)65-43(56)45(5,6)7)30(24-58-42(55)44(2,3)4)61-39-34(63-38(54)28-21-15-10-16-22-28)32(62-37(53)27-19-13-9-14-20-27)29(60-39)23-57-36(52)26-17-11-8-12-18-26/h2*8-22,29-35,39-40,50H,23-24H2,1-7H3/t29-,30+,31+,32-,33+,34+,35-,39-,40+;29-,30+,31-,32-,33-,34+,35+,39-,40+/m00/s1 |
| InChIKey | IABPJVKBCQSNQK-XPDOIGMQSA-N |
| Mol Weight | 1958.5 g/mol |
| Molecular Formula | C92H100Cl6N2O32 |
| Exact Mass | 1954.439035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Bx40ZHTSUs |
|---|---|
| Name | O-(2,3,5-TRI-O-BENZOYL-ALPHA-D-ARABINOFURANOSYL-(1->5)-3-O-ACETYL-2,6-DI-O-PIVALOYL-ALPHA/BETA-D-GALACTOFURANOSYL)-TRICHLOROACETAMIDATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C92H100Cl6N2O32 |
| InChI | InChI=1S/2C46H50Cl3NO16/c2*1-25(51)59-33-31(64-40(66-41(50)46(47,48)49)35(33)65-43(56)45(5,6)7)30(24-58-42(55)44(2,3)4)61-39-34(63-38(54)28-21-15-10-16-22-28)32(62-37(53)27-19-13-9-14-20-27)29(60-39)23-57-36(52)26-17-11-8-12-18-26/h2*8-22,29-35,39-40,50H,23-24H2,1-7H3/t29-,30+,31+,32-,33+,34+,35-,39-,40+;29-,30+,31-,32-,33-,34+,35+,39-,40+/m00/s1 |
| InChIKey | IABPJVKBCQSNQK-XPDOIGMQSA-N |
| Literature Reference Author | L.GANDOLFI-DONADIO,C.GALLO-RODRIGUEZ,R.M.D.LEDERKREMER |
| Literature Reference Citation | CAN.J.CHEM.,84,486(2006) |
| Literature Reference DOI | 10.1139/v06-025 |
| Molecular Weight | 1958.518 g/mol |
| Sample ID | 46865 |
| Solvent | CDCl3 |