| SpectraBase Compound ID | JHslulLV56Y |
|---|---|
| InChI | InChI=1S/C91H104O16S/c1-3-4-5-6-7-35-54-95-89-86(102-63-76-52-33-16-34-53-76)83(99-60-73-46-27-13-28-47-73)82(98-59-72-44-25-12-26-45-72)79(105-89)66-108-91-88(85(101-62-75-50-31-15-32-51-75)81(97-58-71-42-23-11-24-43-71)78(106-91)65-94-56-69-38-19-9-20-39-69)107-90-87(103-67(2)92)84(100-61-74-48-29-14-30-49-74)80(96-57-70-40-21-10-22-41-70)77(104-90)64-93-55-68-36-17-8-18-37-68/h8-34,36-53,77-91H,3-7,35,54-66H2,1-2H3/t77-,78+,79+,80-,81+,82+,83-,84+,85-,86+,87-,88-,89+,90+,91+/m1/s1 |
| InChIKey | ZUHBIDANXDQOBK-PIMUTLKNSA-N |
| Mol Weight | 1485.9 g/mol |
| Molecular Formula | C91H104O16S |
| Exact Mass | 1484.704508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dJ3FV6vlxY |
|---|---|
| Name | OCTYL_2-O-ACETYL-3,4,6-TRI-O-BENZYL-BETA-D-GLUCOPYRANOSYL-(1->2)-3,4,6-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSYL-(1->6)-2,3,4-TRI-O-BENZYL-6-DEOXY-6-THIO-BETA-D-GLUC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H104O16S |
| InChI | InChI=1S/C91H104O16S/c1-3-4-5-6-7-35-54-95-89-86(102-63-76-52-33-16-34-53-76)83(99-60-73-46-27-13-28-47-73)82(98-59-72-44-25-12-26-45-72)79(105-89)66-108-91-88(85(101-62-75-50-31-15-32-51-75)81(97-58-71-42-23-11-24-43-71)78(106-91)65-94-56-69-38-19-9-20-39-69)107-90-87(103-67(2)92)84(100-61-74-48-29-14-30-49-74)80(96-57-70-40-21-10-22-41-70)77(104-90)64-93-55-68-36-17-8-18-37-68/h8-34,36-53,77-91H,3-7,35,54-66H2,1-2H3/t77-,78+,79+,80-,81+,82+,83-,84+,85-,86+,87-,88-,89+,90+,91+/m1/s1 |
| InChIKey | ZUHBIDANXDQOBK-PIMUTLKNSA-N |
| Literature Reference Author | P.P.LU,O.HINDSGAUL,H.LI,M.M.PALCIC |
| Literature Reference Citation | CAN.J.CHEM.,75,790(1997) |
| Literature Reference DOI | 10.1139/v97-095 |
| Molecular Weight | 1485.877 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ970 |