| SpectraBase Compound ID | Kn69dGFj8V1 |
|---|---|
| InChI | InChI=1S/C89H102O15S/c1-2-3-4-5-6-34-53-93-88-85(100-62-74-51-32-15-33-52-74)83(98-60-72-47-28-13-29-48-72)81(96-58-70-43-24-11-25-44-70)77(102-88)65-105-89-86(84(99-61-73-49-30-14-31-50-73)80(95-57-69-41-22-10-23-42-69)76(103-89)64-92-55-67-37-18-8-19-38-67)104-87-78(90)82(97-59-71-45-26-12-27-46-71)79(94-56-68-39-20-9-21-40-68)75(101-87)63-91-54-66-35-16-7-17-36-66/h7-33,35-52,75-90H,2-6,34,53-65H2,1H3/t75-,76+,77-,78-,79-,80+,81-,82-,83+,84-,85-,86-,87+,88-,89+/m1/s1 |
| InChIKey | VWEMWTDIJBLVBR-ZTPMYWIISA-N |
| Mol Weight | 1443.8 g/mol |
| Molecular Formula | C89H102O15S |
| Exact Mass | 1442.693944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8ZT9LNwZpl |
|---|---|
| Name | #26;OCTYL_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-GLUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C89H102O15S |
| InChI | InChI=1S/C89H102O15S/c1-2-3-4-5-6-34-53-93-88-85(100-62-74-51-32-15-33-52-74)83(98-60-72-47-28-13-29-48-72)81(96-58-70-43-24-11-25-44-70)77(102-88)65-105-89-86(84(99-61-73-49-30-14-31-50-73)80(95-57-69-41-22-10-23-42-69)76(103-89)64-92-55-67-37-18-8-19-38-67)104-87-78(90)82(97-59-71-45-26-12-27-46-71)79(94-56-68-39-20-9-21-40-68)75(101-87)63-91-54-66-35-16-7-17-36-66/h7-33,35-52,75-90H,2-6,34,53-65H2,1H3/t75-,76+,77-,78-,79-,80+,81-,82-,83+,84-,85-,86-,87+,88-,89+/m1/s1 |
| InChIKey | VWEMWTDIJBLVBR-ZTPMYWIISA-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 | 1443.840 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ971 |