| SpectraBase Compound ID | AlPNSO0XChv |
|---|---|
| InChI | InChI=1S/C68H82O18/c1-5-7-14-36-51(37-15-8-6-2)79-67-62(60(74-40-48-30-20-11-21-31-48)56(73-39-47-28-18-10-19-29-47)52(81-67)41-72-38-46-26-16-9-17-27-46)86-66-55(71)59(57-53(80-66)42-75-64(83-57)49-32-22-12-23-33-49)85-68-63(78-45(4)70)61(77-44(3)69)58-54(82-68)43-76-65(84-58)50-34-24-13-25-35-50/h5,9-13,16-35,51-68,71H,1,6-8,14-15,36-43H2,2-4H3/t51-,52-,53-,54-,55-,56?,57-,58-,59-,60+,61+,62-,63-,64?,65?,66+,67-,68+/m1/s1 |
| InChIKey | RVFSDVKCKCPQTB-VRVXHLLOSA-N |
| Mol Weight | 1187.4 g/mol |
| Molecular Formula | C68H82O18 |
| Exact Mass | 1186.550116 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ca8rGUvrj36 |
|---|---|
| Name | Trisaccharide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C68H82O18 |
| InChI | InChI=1S/C68H82O18/c1-5-7-14-36-51(37-15-8-6-2)79-67-62(60(74-40-48-30-20-11-21-31-48)56(73-39-47-28-18-10-19-29-47)52(81-67)41-72-38-46-26-16-9-17-27-46)86-66-55(71)59(57-53(80-66)42-75-64(83-57)49-32-22-12-23-33-49)85-68-63(78-45(4)70)61(77-44(3)69)58-54(82-68)43-76-65(84-58)50-34-24-13-25-35-50/h5,9-13,16-35,51-68,71H,1,6-8,14-15,36-43H2,2-4H3/t51-,52-,53-,54-,55-,56?,57-,58-,59-,60+,61+,62-,63-,64?,65?,66+,67-,68+/m1/s1 |
| InChIKey | RVFSDVKCKCPQTB-VRVXHLLOSA-N |
| Molecular Weight | 1187.386 g/mol |
| SMILES | O[C@]1([C@](O[C@]2([C@@](O[C@@](C([C@@]2(OCc2ccccc2)[H])OCc2ccccc2)(COCc2ccccc2)[H])(O[C@](CCCC=C)(CCCCC)[H])[H])[H])(O[C@]2([C@]([C@@]1(O[C@]1([C@@]([C@@](OC(=O)C)([C@]3([C@](O1)(COC(c1ccccc1)O3)[H])[H])[H])(OC(=O)C)[H])[H])[H])(OC(c1ccccc1)OC2)[H])[H])[H])[H] |
| SPLASH | splash10-0006-9502000000-c9f5a9921f3d9d0c443d |
| Source of Spectrum | QF-9-317-45 |
| Wiley ID | 1558163 |