| SpectraBase Compound ID | CLOJcy86AmS |
|---|---|
| InChI | InChI=1S/C68H89O14PSi/c1-6-11-43-76-83(69,77-44-12-7-2)81-68-66(82-84(8-3,9-4)10-5)64(74-49-57-39-27-17-28-40-57)62(60(79-68)52-71-46-54-33-21-14-22-34-54)80-67-65(75-50-58-41-29-18-30-42-58)63(73-48-56-37-25-16-26-38-56)61(72-47-55-35-23-15-24-36-55)59(78-67)51-70-45-53-31-19-13-20-32-53/h13-42,59-68H,6-12,43-52H2,1-5H3/t59-,60-,61+,62-,63+,64+,65-,66-,67+,68+/m0/s1 |
| InChIKey | MEKYDHUHYJEHLF-FRTXIWIKSA-N |
| Mol Weight | 1189.5 g/mol |
| Molecular Formula | C68H89O14PSi |
| Exact Mass | 1188.575921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FS3791DZLO8 |
|---|---|
| Name | Dibutyl-2,3,4,6-tetra-o-benzyl-beta-D-galactopyranoside-(1->4)-3,6-di-o-benzyl-2-o-triethylsilyl-beta-D-glucopyranoside-phosphate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1188.575921065 u |
| Formula | C68H89O14PSi |
| InChI | InChI=1S/C68H89O14PSi/c1-6-11-43-76-83(69,77-44-12-7-2)81-68-66(82-84(8-3,9-4)10-5)64(74-49-57-39-27-17-28-40-57)62(60(79-68)52-71-46-54-33-21-14-22-34-54)80-67-65(75-50-58-41-29-18-30-42-58)63(73-48-56-37-25-16-26-38-56)61(72-47-55-35-23-15-24-36-55)59(78-67)51-70-45-53-31-19-13-20-32-53/h13-42,59-68H,6-12,43-52H2,1-5H3/t59-,60-,61+,62-,63+,64+,65-,66-,67+,68+/m0/s1 |
| InChIKey | MEKYDHUHYJEHLF-FRTXIWIKSA-N |
| Molecular Weight | 1189.505 g/mol |
| SMILES | [C@]1(O[C@]([C@@]([C@]([C@@]1(O[Si](CC)(CC)CC)[H])(OCC1=CC=CC=C1)[H])(O[C@@]1([C@]([C@@]([C@@]([C@@](O1)(COCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])[H])[H])(COCC1=CC=CC=C1)[H])(OP(=O)(OCCCC)OCCCC)[H] |