| SpectraBase Compound ID | CwTfHxIREnN |
|---|---|
| InChI | InChI=1S/C59H72O12/c1-4-6-12-30-48(31-13-7-5-2)67-59-56(71-58-51(60)54(64-39-45-32-34-47(61-3)35-33-45)53-50(68-58)41-66-57(70-53)46-28-20-11-21-29-46)55(65-38-44-26-18-10-19-27-44)52(63-37-43-24-16-9-17-25-43)49(69-59)40-62-36-42-22-14-8-15-23-42/h4,8-11,14-29,32-35,48-60H,1,5-7,12-13,30-31,36-41H2,2-3H3/t48-,49-,50-,51-,52?,53-,54-,55+,56-,57?,58+,59-/m1/s1 |
| InChIKey | LZAYWXCDRPTCBW-DLIMPHSXSA-N |
| Mol Weight | 973.2 g/mol |
| Molecular Formula | C59H72O12 |
| Exact Mass | 972.502378 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JwPtp6R0DoR |
|---|---|
| Name | Disaccharide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C59H72O12 |
| InChI | InChI=1S/C59H72O12/c1-4-6-12-30-48(31-13-7-5-2)67-59-56(71-58-51(60)54(64-39-45-32-34-47(61-3)35-33-45)53-50(68-58)41-66-57(70-53)46-28-20-11-21-29-46)55(65-38-44-26-18-10-19-27-44)52(63-37-43-24-16-9-17-25-43)49(69-59)40-62-36-42-22-14-8-15-23-42/h4,8-11,14-29,32-35,48-60H,1,5-7,12-13,30-31,36-41H2,2-3H3/t48-,49-,50-,51-,52?,53-,54-,55+,56-,57?,58+,59-/m1/s1 |
| InChIKey | LZAYWXCDRPTCBW-DLIMPHSXSA-N |
| Molecular Weight | 973.213 g/mol |
| SMILES | O[C@@]1([C@@](OCc2ccc(cc2)OC)([C@]2([C@](O[C@]1(O[C@]1([C@@](O[C@@](C([C@@]1(OCc1ccccc1)[H])OCc1ccccc1)(COCc1ccccc1)[H])(O[C@@](CCCCC)(CCCC=C)[H])[H])[H])[H])(COC(c1ccccc1)O2)[H])[H])[H])[H] |
| SPLASH | splash10-00dl-5900000000-bdb2ab1692fc2eb0195b |
| Source of Spectrum | QF-9-316-40 |
| Wiley ID | 1558166 |