![DIMETHYL-4,4'-O-[6,6'-DITHIOBIS-(2,3,4-TRI-O-BENZOYL-6-DEOXY-BETA-D-GLUCOSYL)]-BIS-(2,3-DI-O-BENZYL-6-DEOXY-BETA-D-GLUCOSIDE)](/api/spectrum/2NBL2wQ9i4Z/structure.png?h=300&w=458 "DIMETHYL-4,4'-O-[6,6'-DITHIOBIS-(2,3,4-TRI-O-BENZOYL-6-DEOXY-BETA-D-GLUCOSYL)]-BIS-(2,3-DI-O-BENZYL-6-DEOXY-BETA-D-GLUCOSIDE)")
| SpectraBase Compound ID | Lwd1u4RoQdJ |
|---|---|
| InChI | InChI=1S/C96H94O24S2/c1-61-75(79(105-55-63-35-15-5-16-36-63)83(93(103-3)109-61)107-57-65-39-19-7-20-40-65)119-95-85(117-91(101)71-51-31-13-32-52-71)81(115-89(99)69-47-27-11-28-48-69)77(113-87(97)67-43-23-9-24-44-67)73(111-95)59-121-122-60-74-78(114-88(98)68-45-25-10-26-46-68)82(116-90(100)70-49-29-12-30-50-70)86(118-92(102)72-53-33-14-34-54-72)96(112-74)120-76-62(2)110-94(104-4)84(108-58-66-41-21-8-22-42-66)80(76)106-56-64-37-17-6-18-38-64/h5-54,61-62,73-86,93-96H,55-60H2,1-4H3/t61-,62-,73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83-,84-,85-,86-,93-,94-,95+,96+/m1/s1 |
| InChIKey | QZWGIGODBURLSN-RMEKQQBMSA-N |
| Mol Weight | 1695.9 g/mol |
| Molecular Formula | C96H94O24S2 |
| Exact Mass | 1694.557646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NBL2wQ9i4Z |
|---|---|
| Name | DIMETHYL-4,4'-O-[6,6'-DITHIOBIS-(2,3,4-TRI-O-BENZOYL-6-DEOXY-BETA-D-GLUCOSYL)]-BIS-(2,3-DI-O-BENZYL-6-DEOXY-BETA-D-GLUCOSIDE) |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H94O24S2 |
| InChI | InChI=1S/C96H94O24S2/c1-61-75(79(105-55-63-35-15-5-16-36-63)83(93(103-3)109-61)107-57-65-39-19-7-20-40-65)119-95-85(117-91(101)71-51-31-13-32-52-71)81(115-89(99)69-47-27-11-28-48-69)77(113-87(97)67-43-23-9-24-44-67)73(111-95)59-121-122-60-74-78(114-88(98)68-45-25-10-26-46-68)82(116-90(100)70-49-29-12-30-50-70)86(118-92(102)72-53-33-14-34-54-72)96(112-74)120-76-62(2)110-94(104-4)84(108-58-66-41-21-8-22-42-66)80(76)106-56-64-37-17-6-18-38-64/h5-54,61-62,73-86,93-96H,55-60H2,1-4H3/t61-,62-,73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83-,84-,85-,86-,93-,94-,95+,96+/m1/s1 |
| InChIKey | QZWGIGODBURLSN-RMEKQQBMSA-N |
| Literature Reference Author | R.V.STICK,D.M.G.TILBROOK,S.J.WILLIAMS |
| Literature Reference Citation | AUSTR.J.CHEM.,52,685(1999) |
| Literature Reference DOI | 10.1071/CH99009 |
| Molecular Weight | 1695.908 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU4838 |