| SpectraBase Compound ID | 43z1RP5osiI |
|---|---|
| InChI | InChI=1S/C89H86N6O27S2/c1-52(96)111-67-64(114-76(93-88(124)92-51-89(4)94-95-89)73(113-54(3)98)70(67)112-53(2)97)46-91-87(123)90-45-55(47-109-85-74(121-83(105)62-41-25-11-26-42-62)71(119-81(103)60-37-21-9-22-38-60)68(117-79(101)58-33-17-7-18-34-58)65(115-85)49-107-77(99)56-29-13-5-14-30-56)48-110-86-75(122-84(106)63-43-27-12-28-44-63)72(120-82(104)61-39-23-10-24-40-61)69(118-80(102)59-35-19-8-20-36-59)66(116-86)50-108-78(100)57-31-15-6-16-32-57/h5-44,55,64-76,85-86H,45-51H2,1-4H3,(H2,90,91,123)(H2,92,93,124)/t64-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,85+,86+/m1/s1 |
| InChIKey | RXNZQXBGOIGNSC-JRQKMGAHSA-N |
| Mol Weight | 1735.8 g/mol |
| Molecular Formula | C89H86N6O27S2 |
| Exact Mass | 1734.498234 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oKDe75vgbY |
|---|---|
| Name | #16;1,3-BIS-(2',3',4',6'-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLOXY)-2-(2''-AZIPROPYLTHIOURENYL-2''',3''',4'''-TRI-O-ACETYL-6'''-DEOXY-6'''-THIOURENYLMETHYL-ALPHA-D-M |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C89H86N6O27S2 |
| InChI | InChI=1S/C89H86N6O27S2/c1-52(96)111-67-64(114-76(93-88(124)92-51-89(4)94-95-89)73(113-54(3)98)70(67)112-53(2)97)46-91-87(123)90-45-55(47-109-85-74(121-83(105)62-41-25-11-26-42-62)71(119-81(103)60-37-21-9-22-38-60)68(117-79(101)58-33-17-7-18-34-58)65(115-85)49-107-77(99)56-29-13-5-14-30-56)48-110-86-75(122-84(106)63-43-27-12-28-44-63)72(120-82(104)61-39-23-10-24-40-61)69(118-80(102)59-35-19-8-20-36-59)66(116-86)50-108-78(100)57-31-15-6-16-32-57/h5-44,55,64-76,85-86H,45-51H2,1-4H3,(H2,90,91,123)(H2,92,93,124)/t64-,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,85+,86+/m1/s1 |
| InChIKey | RXNZQXBGOIGNSC-JRQKMGAHSA-N |
| Literature Reference Author | M.WALTER,M.WIEGAND,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,719(2006) |
| Molecular Weight | 1735.806 g/mol |
| Sample ID | 43194 |
| Solvent | CDCl3 |